2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid

C16H17FN2O2 — CID 68816917

IUPAC2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid
SMILESCC[C@H](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)/t10-/m0/s1
InChIKeyMGQAVTTYHAORGJ-JTQLQIEISA-N
MW288.32 g/mol
LogP3.80
Rot. Bonds5

About 2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid

2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid (PubChem CID 68816917) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid
PubChem CID68816917
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid
SMILESCC[C@H](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)/t10-/m0/s1
InChIKeyMGQAVTTYHAORGJ-JTQLQIEISA-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-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid (CID 68816917) is 2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid is CC[C@H](C)Nc1cc(C(=O)O)cc(-c2ccccc2F)n1.
What is the InChIKey of 2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid?
The InChIKey is MGQAVTTYHAORGJ-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid?
2-[[(2S)-butan-2-yl]amino]-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-[[(2S)-butan-2-yl]amino]-6-(2-fluorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 68816917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).