4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid

C14H11FN2O2 — CID 103496498

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C14H11FN2O2/c15-10-2-1-9-4-6-17(13(9)7-10)12-3-5-16-8-11(12)14(18)19/h1-3,5,7-8H,4,6H2,(H,18,19)
InChIKeyAYULMOBNIFWANN-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.61
Rot. Bonds2

About 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid

4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid (PubChem CID 103496498) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
PubChem CID103496498
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C14H11FN2O2/c15-10-2-1-9-4-6-17(13(9)7-10)12-3-5-16-8-11(12)14(18)19/h1-3,5,7-8H,4,6H2,(H,18,19)
InChIKeyAYULMOBNIFWANN-UHFFFAOYSA-N
XLogP2.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103497755
(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831
(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 107282369
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
(3-chloro-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103714816
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
(6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 103502155

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid (CID 103496498) is 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1N1CCc2ccc(F)cc21.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is AYULMOBNIFWANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-10-2-1-9-4-6-17(13(9)7-10)12-3-5-16-8-11(12)14(18)19/h1-3,5,7-8H,4,6H2,(H,18,19).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid?
4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 258.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 103496498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).