5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride

C56H46BrCl2F8N17O4 — CID 162171619

IUPAC5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride
SMILESCC(C)(C)Nc1ncccc1-n1nnnc1-c1cccc(F)c1F.CC(C)(C)Nc1ncccc1NC(=O)c1cccc(F)c1F.Nc1ncc(Br)cc1-n1nnnc1-c1cccc(F)c1F.O=C(Cl)c1cccc(F)c1F.O=[N+]([O-])c1cccnc1Cl
InChIInChI=1S/C16H16F2N6.C16H17F2N3O.C12H7BrF2N6.C7H3ClF2O.C5H3ClN2O2/c1-16(2,3)20-14-12(8-5-9-19-14)24-15(21-22-23-24)10-6-4-7-11(17)13(10)18;1-16(2,3)21-14-12(8-5-9-19-14)20-15(22)10-6-4-7-11(17)13(10)18;13-6-4-9(11(16)17-5-6)21-12(18-19-20-21)7-2-1-3-8(14)10(7)15;8-7(11)4-2-1-3-5(9)6(4)10;6-5-4(8(9)10)2-1-3-7-5/h4-9H,1-3H3,(H,19,20);4-9H,1-3H3,(H,19,21)(H,20,22);1-5H,(H2,16,17);1-3H;1-3H
InChIKeyZNWGVUNTZIFKEG-UHFFFAOYSA-N
MW1323.89 g/mol
LogP13.37
Rot. Bonds10

About 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride

5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride (PubChem CID 162171619) has the molecular formula C56H46BrCl2F8N17O4 and a molecular weight of 1323.89 g/mol. Its IUPAC name is 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride.

Molecular Properties

Compound Name5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride
PubChem CID162171619
Molecular FormulaC56H46BrCl2F8N17O4
Molecular Weight1323.89 g/mol
Exact Mass1321.24
IUPAC Name5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride
SMILESCC(C)(C)Nc1ncccc1-n1nnnc1-c1cccc(F)c1F.CC(C)(C)Nc1ncccc1NC(=O)c1cccc(F)c1F.Nc1ncc(Br)cc1-n1nnnc1-c1cccc(F)c1F.O=C(Cl)c1cccc(F)c1F.O=[N+]([O-])c1cccnc1Cl
InChIInChI=1S/C16H16F2N6.C16H17F2N3O.C12H7BrF2N6.C7H3ClF2O.C5H3ClN2O2/c1-16(2,3)20-14-12(8-5-9-19-14)24-15(21-22-23-24)10-6-4-7-11(17)13(10)18;1-16(2,3)21-14-12(8-5-9-19-14)20-15(22)10-6-4-7-11(17)13(10)18;13-6-4-9(11(16)17-5-6)21-12(18-19-20-21)7-2-1-3-8(14)10(7)15;8-7(11)4-2-1-3-5(9)6(4)10;6-5-4(8(9)10)2-1-3-7-5/h4-9H,1-3H3,(H,19,20);4-9H,1-3H3,(H,19,21)(H,20,22);1-5H,(H2,16,17);1-3H;1-3H
InChIKeyZNWGVUNTZIFKEG-UHFFFAOYSA-N
XLogP13.37
TPSA278.15 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001323.89
LogP ≤ 513.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride with MolForge

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Related Compounds

aniline;N-(2-anilino-3-pyridinyl)-4-bromobenzamide;4-bromobenzoyl chloride;2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;N,N-diethyl-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)aniline;N-ethylethanamine;hydron;3-nitro-N-phenylpyridin-2-amine
CID 157903363
aniline;N-(2-anilino-3-pyridinyl)-4-bromobenzamide;4-bromobenzoyl chloride;2-(4-bromophenyl)-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;N-ethylethanamine;N-ethyl-N-ethynyl-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)aniline;hydron;molecular hydrogen;3-nitro-N-phenylpyridin-2-amine
CID 158431939
5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-[2-(tert-butylamino)-3-pyridinyl]-1-(2,3-difluorophenyl)ethanone;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride
CID 161992384
aniline;1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline
CID 162232611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride?
The IUPAC name of 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride (CID 162171619) is 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride.
What is the SMILES notation for 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride?
The canonical SMILES for 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride is CC(C)(C)Nc1ncccc1-n1nnnc1-c1cccc(F)c1F.CC(C)(C)Nc1ncccc1NC(=O)c1cccc(F)c1F.Nc1ncc(Br)cc1-n1nnnc1-c1cccc(F)c1F.O=C(Cl)c1cccc(F)c1F.O=[N+]([O-])c1cccnc1Cl.
What is the InChIKey of 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride?
The InChIKey is ZNWGVUNTZIFKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6.C16H17F2N3O.C12H7BrF2N6.C7H3ClF2O.C5H3ClN2O2/c1-16(2,3)20-14-12(8-5-9-19-14)24-15(21-22-23-24)10-6-4-7-11(17)13(10)18;1-16(2,3)21-14-12(8-5-9-19-14)20-15(22)10-6-4-7-11(17)13(10)18;13-6-4-9(11(16)17-5-6)21-12(18-19-20-21)7-2-1-3-8(14)10(7)15;8-7(11)4-2-1-3-5(9)6(4)10;6-5-4(8(9)10)2-1-3-7-5/h4-9H,1-3H3,(H,19,20);4-9H,1-3H3,(H,19,21)(H,20,22);1-5H,(H2,16,17);1-3H;1-3H.
What are the key properties of 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride?
5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride has a molecular weight of 1323.89 g/mol, XLogP of 13.37, 10 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;N-[2-(tert-butylamino)-3-pyridinyl]-2,3-difluorobenzamide;N-tert-butyl-3-[5-(2,3-difluorophenyl)tetrazol-1-yl]pyridin-2-amine;2-chloro-3-nitropyridine;2,3-difluorobenzoyl chloride is sourced from PubChem (CID 162171619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).