2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile

C15H8Cl2FN3O — CID 141191031

IUPAC2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESN#Cc1ncc(O)c2c(Cl)c(Cl)n(Cc3cccc(F)c3)c12
InChIInChI=1S/C15H8Cl2FN3O/c16-13-12-11(22)6-20-10(5-19)14(12)21(15(13)17)7-8-2-1-3-9(18)4-8/h1-4,6,22H,7H2
InChIKeyAPPAMQIRVBKRMY-UHFFFAOYSA-N
MW336.15 g/mol
LogP4.11
Rot. Bonds2

About 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile

2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile (PubChem CID 141191031) has the molecular formula C15H8Cl2FN3O and a molecular weight of 336.15 g/mol. Its IUPAC name is 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
PubChem CID141191031
Molecular FormulaC15H8Cl2FN3O
Molecular Weight336.15 g/mol
Exact Mass335.00
IUPAC Name2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESN#Cc1ncc(O)c2c(Cl)c(Cl)n(Cc3cccc(F)c3)c12
InChIInChI=1S/C15H8Cl2FN3O/c16-13-12-11(22)6-20-10(5-19)14(12)21(15(13)17)7-8-2-1-3-9(18)4-8/h1-4,6,22H,7H2
InChIKeyAPPAMQIRVBKRMY-UHFFFAOYSA-N
XLogP4.11
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile
CID 82268701
1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile
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3-bromo-5-[(3-fluorophenyl)methyl]pyridine-2-carbonitrile
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5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
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2-(chloromethyl)-1-[(3-fluorophenyl)methyl]benzimidazole-4-carbonitrile
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5-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211795
N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172672
1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile
CID 143383296
3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile
CID 162731731
5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol
CID 117232569
1-[(3-chlorophenyl)methyl]-5-(3-fluorophenyl)triazole-4-carbonitrile
CID 94943388
2-[9-[(3-fluorophenyl)methyl]-5-formamido-4-hydroxypyrido[3,4-b]indol-6-yl]acetic acid
CID 90834708

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile?
The IUPAC name of 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile (CID 141191031) is 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile.
What is the SMILES notation for 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile?
The canonical SMILES for 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile is N#Cc1ncc(O)c2c(Cl)c(Cl)n(Cc3cccc(F)c3)c12.
What is the InChIKey of 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile?
The InChIKey is APPAMQIRVBKRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN3O/c16-13-12-11(22)6-20-10(5-19)14(12)21(15(13)17)7-8-2-1-3-9(18)4-8/h1-4,6,22H,7H2.
What are the key properties of 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile?
2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile has a molecular weight of 336.15 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile is sourced from PubChem (CID 141191031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).