6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

C15H10F2N2O2 — CID 22320668

IUPAC6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)C1=Nc2cc(Cc3ccc(F)c(F)c3)cnc2C1
InChIInChI=1S/C15H10F2N2O2/c16-10-2-1-8(4-11(10)17)3-9-5-13-12(18-7-9)6-14(19-13)15(20)21/h1-2,4-5,7H,3,6H2,(H,20,21)
InChIKeyVIYGCUAQUQQXFW-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.66
Rot. Bonds3

About 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 22320668) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID22320668
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)C1=Nc2cc(Cc3ccc(F)c(F)c3)cnc2C1
InChIInChI=1S/C15H10F2N2O2/c16-10-2-1-8(4-11(10)17)3-9-5-13-12(18-7-9)6-14(19-13)15(20)21/h1-2,4-5,7H,3,6H2,(H,20,21)
InChIKeyVIYGCUAQUQQXFW-UHFFFAOYSA-N
XLogP2.66
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine
CID 143473669
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid
CID 69481064
1-[(3,4-difluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 82918485
5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 139521632
3-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074628
2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone
CID 167595493
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 167947840
3-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 65053964
2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetamide
CID 86296849
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 22320668) is 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is O=C(O)C1=Nc2cc(Cc3ccc(F)c(F)c3)cnc2C1.
What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is VIYGCUAQUQQXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-10-2-1-8(4-11(10)17)3-9-5-13-12(18-7-9)6-14(19-13)15(20)21/h1-2,4-5,7H,3,6H2,(H,20,21).
What are the key properties of 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22320668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).