2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid

C16H17FN2O2 — CID 68816920

IUPAC2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid
SMILESCCC(C)Nc1cc(C(=O)O)cc(-c2ccccc2F)n1
InChIInChI=1S/C16H17FN2O2/c1-3-10(2)18-15-9-11(16(20)21)8-14(19-15)12-6-4-5-7-13(12)17/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMGQAVTTYHAORGJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.80
Rot. Bonds5

About 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid

2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid (PubChem CID 68816920) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid
PubChem CID68816920
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid
SMILESCCC(C)Nc1cc(C(=O)O)cc(-c2ccccc2F)n1
InChIInChI=1S/C16H17FN2O2/c1-3-10(2)18-15-9-11(16(20)21)8-14(19-15)12-6-4-5-7-13(12)17/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMGQAVTTYHAORGJ-UHFFFAOYSA-N
XLogP3.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid (CID 68816920) is 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid is CCC(C)Nc1cc(C(=O)O)cc(-c2ccccc2F)n1.
What is the InChIKey of 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid?
The InChIKey is MGQAVTTYHAORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-10(2)18-15-9-11(16(20)21)8-14(19-15)12-6-4-5-7-13(12)17/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid?
2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 68816920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).