1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid

C15H9ClF2N2O2 — CID 45483851

IUPAC1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2ccn(Cc3c(F)cc(Cl)cc3F)c2cn1
InChIInChI=1S/C15H9ClF2N2O2/c16-9-4-11(17)10(12(18)5-9)7-20-2-1-8-3-13(15(21)22)19-6-14(8)20/h1-6H,7H2,(H,21,22)
InChIKeyYMCWOVNTEGWFNM-UHFFFAOYSA-N
MW322.70 g/mol
LogP3.71
Rot. Bonds3

About 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid

1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid (PubChem CID 45483851) has the molecular formula C15H9ClF2N2O2 and a molecular weight of 322.70 g/mol. Its IUPAC name is 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
PubChem CID45483851
Molecular FormulaC15H9ClF2N2O2
Molecular Weight322.70 g/mol
Exact Mass322.03
IUPAC Name1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1cc2ccn(Cc3c(F)cc(Cl)cc3F)c2cn1
InChIInChI=1S/C15H9ClF2N2O2/c16-9-4-11(17)10(12(18)5-9)7-20-2-1-8-3-13(15(21)22)19-6-14(8)20/h1-6H,7H2,(H,21,22)
InChIKeyYMCWOVNTEGWFNM-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid (CID 45483851) is 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid is O=C(O)c1cc2ccn(Cc3c(F)cc(Cl)cc3F)c2cn1.
What is the InChIKey of 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is YMCWOVNTEGWFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2/c16-9-4-11(17)10(12(18)5-9)7-20-2-1-8-3-13(15(21)22)19-6-14(8)20/h1-6H,7H2,(H,21,22).
What are the key properties of 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid?
1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 322.70 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 45483851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).