1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid

C14H9FN2O2 — CID 59625936

IUPAC1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(F)cn2)c1
InChIInChI=1S/C14H9FN2O2/c15-11-2-4-13(16-8-11)17-6-5-9-7-10(14(18)19)1-3-12(9)17/h1-8H,(H,18,19)
InChIKeyUQSJYUMYFZKBBS-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.86
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid

1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid (PubChem CID 59625936) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid
PubChem CID59625936
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(F)cn2)c1
InChIInChI=1S/C14H9FN2O2/c15-11-2-4-13(16-8-11)17-6-5-9-7-10(14(18)19)1-3-12(9)17/h1-8H,(H,18,19)
InChIKeyUQSJYUMYFZKBBS-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-Aminopyridin-4-Yl)methyl]-3-(2-Oxo-1,2-Dihydropyridin-3-Yl)-5-(Trifluoromethyl)-1h-Indole-2-Carboxylic Acid
CID 53346500
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
2-Imidazol-1-ylmethyl-3-methyl-1H-indole-5-carboxylic acid
CID 13663101
2-Imidazol-1-ylmethyl-1,3-dimethyl-1H-indole-5-carboxylic acid
CID 13663102
1-[(2-amino-4-pyridyl)methyl]-5-ethynyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 25226740
1-[(2-amino-4-pyridyl)methyl]-5-cyclopropyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 56950587
5-acetyl-1-[(2-amino-4-pyridyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 56950712
3-[2-[8-[(3-Fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]benzoic acid
CID 89523011
5-cyclopropyl-2-((1-phenyl-1H-indol-5-yl)amino)nicotinic acid
CID 90152575
4-(4-Fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 157038028
2-Methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157038066
4-(1H-1,3-benzodiazol-1-yl)benzoic acid
CID 4962189

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid (CID 59625936) is 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2-c2ccc(F)cn2)c1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid?
The InChIKey is UQSJYUMYFZKBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-11-2-4-13(16-8-11)17-6-5-9-7-10(14(18)19)1-3-12(9)17/h1-8H,(H,18,19).
What are the key properties of 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid?
1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid has a molecular weight of 256.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid is sourced from PubChem (CID 59625936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).