5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C14H10BrF2N3 — CID 141311863

IUPAC5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)=Cc1ccn(Cc2c[nH]c3ncc(Br)cc23)c1
InChIInChI=1S/C14H10BrF2N3/c15-11-4-12-10(5-18-14(12)19-6-11)8-20-2-1-9(7-20)3-13(16)17/h1-7H,8H2,(H,18,19)
InChIKeyRVFFVYAYKKJCFK-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141311863) has the molecular formula C14H10BrF2N3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID141311863
Molecular FormulaC14H10BrF2N3
Molecular Weight338.16 g/mol
Exact Mass337.00
IUPAC Name5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)=Cc1ccn(Cc2c[nH]c3ncc(Br)cc23)c1
InChIInChI=1S/C14H10BrF2N3/c15-11-4-12-10(5-18-14(12)19-6-11)8-20-2-1-9(7-20)3-13(16)17/h1-7H,8H2,(H,18,19)
InChIKeyRVFFVYAYKKJCFK-UHFFFAOYSA-N
XLogP4.41
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 70728319
5-Fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784462
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
3-Bromo-1H-pyrrolo[2,3-b]pyridine
CID 5523659
4-Bromo-1H-pyrrolo[2,3-b]pyridine
CID 22273643
6-Bromo-7-azaindole
CID 11159915
1H-Pyrrolo[2,3-B]pyridine, 3-(phenylmethyl)-
CID 21028223
6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine
CID 4573919
2-Pyrimidinamine, 4-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CID 24801184
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-ylamine
CID 25164971
N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 57045449
(R)-N-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)-5-bromo-N-methylpyridin-2-amine
CID 66765983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 141311863) is 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is FC(F)=Cc1ccn(Cc2c[nH]c3ncc(Br)cc23)c1.
What is the InChIKey of 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RVFFVYAYKKJCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3/c15-11-4-12-10(5-18-14(12)19-6-11)8-20-2-1-9(7-20)3-13(16)17/h1-7H,8H2,(H,18,19).
What are the key properties of 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 338.16 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[3-(2,2-difluoroethenyl)pyrrol-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141311863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).