6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid

C15H11FN2O2 — CID 106903722

IUPAC6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cn2ccc3cc(F)ccc32)n1
InChIInChI=1S/C15H11FN2O2/c16-11-4-5-14-10(8-11)6-7-18(14)9-12-2-1-3-13(17-12)15(19)20/h1-8H,9H2,(H,19,20)
InChIKeyYBQKHTOMZQIWPM-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.92
Rot. Bonds3

About 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid

6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106903722) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106903722
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cn2ccc3cc(F)ccc32)n1
InChIInChI=1S/C15H11FN2O2/c16-11-4-5-14-10(8-11)6-7-18(14)9-12-2-1-3-13(17-12)15(19)20/h1-8H,9H2,(H,19,20)
InChIKeyYBQKHTOMZQIWPM-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
5-fluoro-1-(pyridin-2-ylmethyl)indole
CID 55257545
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide
CID 68669781
3-chloro-4-[(5-fluoroindol-1-yl)methyl]benzoic acid
CID 102670073
2-(5-fluoroindol-1-yl)-1-(3-fluorophenyl)ethanone
CID 63851474
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid
CID 106903799
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid (CID 106903722) is 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cn2ccc3cc(F)ccc32)n1.
What is the InChIKey of 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is YBQKHTOMZQIWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-11-4-5-14-10(8-11)6-7-18(14)9-12-2-1-3-13(17-12)15(19)20/h1-8H,9H2,(H,19,20).
What are the key properties of 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).