2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine

C127H107BrFN27O4S3 — CID 158691658

IUPAC2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine
SMILESBrc1ncccc1Cn1ccnc1.COc1ccccc1-c1ccc(Cn2ccnc2)cn1.O=Cc1ccc(-c2ccc(Cn3ccnc3)cn2)s1.Oc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1F.c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1.c1ccc2cc(-c3ccc(Cn4ccnc4)cn3)ccc2c1.c1coc(-c2ccc(Cn3ccnc3)cn2)c1.c1csc(-c2ccc(Cn3ccnc3)cn2)c1.c1csc(-c2ncccc2Cn2ccnc2)c1
InChIInChI=1S/C19H15N3.C16H15N3O.C15H12FN3O.C15H13N3.C14H11N3OS.C13H11N3O.2C13H11N3S.C9H8BrN3/c1-2-4-17-11-18(7-6-16(17)3-1)19-8-5-15(12-21-19)13-22-10-9-20-14-22;1-20-16-5-3-2-4-14(16)15-7-6-13(10-18-15)11-19-9-8-17-12-19;16-13-7-12(2-4-15(13)20)14-3-1-11(8-18-14)9-19-6-5-17-10-19;1-2-4-14(5-3-1)15-7-6-13(10-17-15)11-18-9-8-16-12-18;18-9-12-2-4-14(19-12)13-3-1-11(7-16-13)8-17-6-5-15-10-17;1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16;1-3-11(9-16-7-6-14-10-16)13(15-5-1)12-4-2-8-17-12;1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16;10-9-8(2-1-3-12-9)6-13-5-4-11-7-13/h1-12,14H,13H2;2-10,12H,11H2,1H3;1-8,10,20H,9H2;1-10,12H,11H2;1-7,9-10H,8H2;3*1-8,10H,9H2;1-5,7H,6H2
InChIKeyIGKQPWBQENJJIX-UHFFFAOYSA-N
MW2270.54 g/mol
LogP26.63
Rot. Bonds28

About 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine

2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine (PubChem CID 158691658) has the molecular formula C127H107BrFN27O4S3 and a molecular weight of 2270.54 g/mol. Its IUPAC name is 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine
PubChem CID158691658
Molecular FormulaC127H107BrFN27O4S3
Molecular Weight2270.54 g/mol
Exact Mass2267.73
IUPAC Name2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine
SMILESBrc1ncccc1Cn1ccnc1.COc1ccccc1-c1ccc(Cn2ccnc2)cn1.O=Cc1ccc(-c2ccc(Cn3ccnc3)cn2)s1.Oc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1F.c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1.c1ccc2cc(-c3ccc(Cn4ccnc4)cn3)ccc2c1.c1coc(-c2ccc(Cn3ccnc3)cn2)c1.c1csc(-c2ccc(Cn3ccnc3)cn2)c1.c1csc(-c2ncccc2Cn2ccnc2)c1
InChIInChI=1S/C19H15N3.C16H15N3O.C15H12FN3O.C15H13N3.C14H11N3OS.C13H11N3O.2C13H11N3S.C9H8BrN3/c1-2-4-17-11-18(7-6-16(17)3-1)19-8-5-15(12-21-19)13-22-10-9-20-14-22;1-20-16-5-3-2-4-14(16)15-7-6-13(10-18-15)11-19-9-8-17-12-19;16-13-7-12(2-4-15(13)20)14-3-1-11(8-18-14)9-19-6-5-17-10-19;1-2-4-14(5-3-1)15-7-6-13(10-17-15)11-18-9-8-16-12-18;18-9-12-2-4-14(19-12)13-3-1-11(7-16-13)8-17-6-5-15-10-17;1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16;1-3-11(9-16-7-6-14-10-16)13(15-5-1)12-4-2-8-17-12;1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16;10-9-8(2-1-3-12-9)6-13-5-4-11-7-13/h1-12,14H,13H2;2-10,12H,11H2,1H3;1-8,10,20H,9H2;1-10,12H,11H2;1-7,9-10H,8H2;3*1-8,10H,9H2;1-5,7H,6H2
InChIKeyIGKQPWBQENJJIX-UHFFFAOYSA-N
XLogP26.63
TPSA336.06 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms163
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002270.54
LogP ≤ 526.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine?
The IUPAC name of 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine (CID 158691658) is 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine.
What is the SMILES notation for 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine?
The canonical SMILES for 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine is Brc1ncccc1Cn1ccnc1.COc1ccccc1-c1ccc(Cn2ccnc2)cn1.O=Cc1ccc(-c2ccc(Cn3ccnc3)cn2)s1.Oc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1F.c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1.c1ccc2cc(-c3ccc(Cn4ccnc4)cn3)ccc2c1.c1coc(-c2ccc(Cn3ccnc3)cn2)c1.c1csc(-c2ccc(Cn3ccnc3)cn2)c1.c1csc(-c2ncccc2Cn2ccnc2)c1.
What is the InChIKey of 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine?
The InChIKey is IGKQPWBQENJJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3.C16H15N3O.C15H12FN3O.C15H13N3.C14H11N3OS.C13H11N3O.2C13H11N3S.C9H8BrN3/c1-2-4-17-11-18(7-6-16(17)3-1)19-8-5-15(12-21-19)13-22-10-9-20-14-22;1-20-16-5-3-2-4-14(16)15-7-6-13(10-18-15)11-19-9-8-17-12-19;16-13-7-12(2-4-15(13)20)14-3-1-11(8-18-14)9-19-6-5-17-10-19;1-2-4-14(5-3-1)15-7-6-13(10-17-15)11-18-9-8-16-12-18;18-9-12-2-4-14(19-12)13-3-1-11(7-16-13)8-17-6-5-15-10-17;1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16;1-3-11(9-16-7-6-14-10-16)13(15-5-1)12-4-2-8-17-12;1-2-13(17-7-1)12-4-3-11(8-15-12)9-16-6-5-14-10-16;10-9-8(2-1-3-12-9)6-13-5-4-11-7-13/h1-12,14H,13H2;2-10,12H,11H2,1H3;1-8,10,20H,9H2;1-10,12H,11H2;1-7,9-10H,8H2;3*1-8,10H,9H2;1-5,7H,6H2.
What are the key properties of 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine?
2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine has a molecular weight of 2270.54 g/mol, XLogP of 26.63, 28 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(imidazol-1-ylmethyl)pyridine;2-fluoro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]phenol;2-(furan-2-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-phenylpyridine;5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]thiophene-2-carbaldehyde;3-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine;5-(imidazol-1-ylmethyl)-2-thiophen-2-ylpyridine is sourced from PubChem (CID 158691658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).