4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine

C17H17Cl2FN2O2 — CID 141301456

IUPAC4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESCOc1cc(CN2Cc3c(Cl)nc(Cl)c(F)c3C2C)cc(OC)c1
InChIInChI=1S/C17H17Cl2FN2O2/c1-9-14-13(16(18)21-17(19)15(14)20)8-22(9)7-10-4-11(23-2)6-12(5-10)24-3/h4-6,9H,7-8H2,1-3H3
InChIKeyWSQAUOMCKKMCEC-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.62
Rot. Bonds4

About 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine

4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine (PubChem CID 141301456) has the molecular formula C17H17Cl2FN2O2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine
PubChem CID141301456
Molecular FormulaC17H17Cl2FN2O2
Molecular Weight371.24 g/mol
Exact Mass370.07
IUPAC Name4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESCOc1cc(CN2Cc3c(Cl)nc(Cl)c(F)c3C2C)cc(OC)c1
InChIInChI=1S/C17H17Cl2FN2O2/c1-9-14-13(16(18)21-17(19)15(14)20)8-22(9)7-10-4-11(23-2)6-12(5-10)24-3/h4-6,9H,7-8H2,1-3H3
InChIKeyWSQAUOMCKKMCEC-UHFFFAOYSA-N
XLogP4.62
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dichloro-2-(3,5-dimethoxybenzyl)-7-fluoro-1-methyl-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 58317731
6-chloro-7-fluoro-2-[(4-methoxy-2-methylphenyl)methyl]-4-methyl-3-methylidene-1H-pyrrolo[3,4-c]pyridine
CID 123499509
4,6-Dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol
CID 137098274
2,6-Dichloro-4-[1-[(3,5-dimethoxyphenyl)methyl-methylamino]ethyl]-5-fluoropyridine-3-carbaldehyde
CID 138662739
4,6-Dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 141301468
4,6-Dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1,3-dihydropyrrolo[3,4-c]pyridin-3-ol
CID 146367312
2-(4,6-Dichloro-5-methyl-3-pyridinyl)-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanamine
CID 159610259
2-(4,6-Dichloro-5-methyl-3-pyridinyl)-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanamine;hydrochloride
CID 172778348
3-Chloro-6-[(2,4-dimethoxyphenyl)methyl]-2,4,5-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 176409750
3-Chloro-6-[(2,4-dimethoxyphenyl)methyl]-2,4,7-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 176409794

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine?
The IUPAC name of 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine (CID 141301456) is 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine is COc1cc(CN2Cc3c(Cl)nc(Cl)c(F)c3C2C)cc(OC)c1.
What is the InChIKey of 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine?
The InChIKey is WSQAUOMCKKMCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2/c1-9-14-13(16(18)21-17(19)15(14)20)8-22(9)7-10-4-11(23-2)6-12(5-10)24-3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine?
4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine has a molecular weight of 371.24 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 141301456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).