3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

C10H9F2N3O — CID 173092617

IUPAC3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESNC(=O)c1nccc2c(CC(F)F)c[nH]c12
InChIInChI=1S/C10H9F2N3O/c11-7(12)3-5-4-15-8-6(5)1-2-14-9(8)10(13)16/h1-2,4,7,15H,3H2,(H2,13,16)
InChIKeyURQGMXVVEARRHM-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.47
Rot. Bonds3

About 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (PubChem CID 173092617) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
PubChem CID173092617
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESNC(=O)c1nccc2c(CC(F)F)c[nH]c12
InChIInChI=1S/C10H9F2N3O/c11-7(12)3-5-4-15-8-6(5)1-2-14-9(8)10(13)16/h1-2,4,7,15H,3H2,(H2,13,16)
InChIKeyURQGMXVVEARRHM-UHFFFAOYSA-N
XLogP1.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 137437152
4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide
CID 136591240
7-fluoroisoquinoline-1-carboxamide
CID 82573928
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 71472793
(2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide
CID 121401326
4-butan-2-ylpyridine-2,3-dicarboxamide
CID 67796914
2-amino-3-(6-amino-7-hydroxy-1H-indol-3-yl)propanoic acid
CID 134607267
2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142322
(2S)-2-amino-3-[7-(1-methylpyrazol-3-yl)-1H-indol-3-yl]propanoic acid
CID 172529051
2-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 142768222
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (CID 173092617) is 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is NC(=O)c1nccc2c(CC(F)F)c[nH]c12.
What is the InChIKey of 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The InChIKey is URQGMXVVEARRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-7(12)3-5-4-15-8-6(5)1-2-14-9(8)10(13)16/h1-2,4,7,15H,3H2,(H2,13,16).
What are the key properties of 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide has a molecular weight of 225.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 173092617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).