2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine

C16H14F2N2O — CID 95857740

IUPAC2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(Cn2cccc3cc(C(F)F)nc2-3)c1
InChIInChI=1S/C16H14F2N2O/c1-21-13-6-2-4-11(8-13)10-20-7-3-5-12-9-14(15(17)18)19-16(12)20/h2-9,15H,10H2,1H3
InChIKeyOCWHJZUIDCSSEA-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.98
Rot. Bonds4

About 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine

2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine (PubChem CID 95857740) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
PubChem CID95857740
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(Cn2cccc3cc(C(F)F)nc2-3)c1
InChIInChI=1S/C16H14F2N2O/c1-21-13-6-2-4-11(8-13)10-20-7-3-5-12-9-14(15(17)18)19-16(12)20/h2-9,15H,10H2,1H3
InChIKeyOCWHJZUIDCSSEA-UHFFFAOYSA-N
XLogP3.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]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

3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
1-[(3-methoxyphenyl)methyl]-7-methylindole
CID 123473530
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332
(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium
CID 18958181
5-[6-(difluoromethyl)-2-[(3-methoxyphenyl)methylsulfonyl]pyrimidin-4-yl]-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 138620848
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759422
8-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]quinazolin-2-one
CID 102232672
3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759475
2-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)isoquinolin-1-one
CID 164572220

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine (CID 95857740) is 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine is COc1cccc(Cn2cccc3cc(C(F)F)nc2-3)c1.
What is the InChIKey of 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
The InChIKey is OCWHJZUIDCSSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-21-13-6-2-4-11(8-13)10-20-7-3-5-12-9-14(15(17)18)19-16(12)20/h2-9,15H,10H2,1H3.
What are the key properties of 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 288.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 95857740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).