N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine

C9H9F2N3 — CID 130637894

IUPACN-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
SMILESFC(F)CNc1cc2cc[nH]c2cn1
InChIInChI=1S/C9H9F2N3/c10-8(11)5-14-9-3-6-1-2-12-7(6)4-13-9/h1-4,8,12H,5H2,(H,13,14)
InChIKeyRTACWGNVWMHLEN-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.24
Rot. Bonds3

About N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine

N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine (PubChem CID 130637894) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
PubChem CID130637894
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
SMILESFC(F)CNc1cc2cc[nH]c2cn1
InChIInChI=1S/C9H9F2N3/c10-8(11)5-14-9-3-6-1-2-12-7(6)4-13-9/h1-4,8,12H,5H2,(H,13,14)
InChIKeyRTACWGNVWMHLEN-UHFFFAOYSA-N
XLogP2.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
CID 130667288
1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid
CID 137499260
5-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 53399661
2-phenyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 168875352
1H-pyrrolo[2,3-c]pyridin-5-ylmethanamine
CID 15521900
CID 143215043
CID 143215043
2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
CID 83266255
1H-pyrrolo[2,3-c]pyridin-5-amine;dihydrochloride
CID 67382254
2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile
CID 162786281
1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride
CID 87581993
N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
CID 62758577
6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine
CID 158379420

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine (CID 130637894) is N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine is FC(F)CNc1cc2cc[nH]c2cn1.
What is the InChIKey of N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine?
The InChIKey is RTACWGNVWMHLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c10-8(11)5-14-9-3-6-1-2-12-7(6)4-13-9/h1-4,8,12H,5H2,(H,13,14).
What are the key properties of N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine?
N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine has a molecular weight of 197.19 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridin-5-amine is sourced from PubChem (CID 130637894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).