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

C11H14F2N2O2 — CID 68815849

IUPAC2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid
SMILESCC[C@H](C)Nc1cc(C(=O)O)cc(C(F)F)n1
InChIInChI=1S/C11H14F2N2O2/c1-3-6(2)14-9-5-7(11(16)17)4-8(15-9)10(12)13/h4-6,10H,3H2,1-2H3,(H,14,15)(H,16,17)/t6-/m0/s1
InChIKeyZJETVKNVKMWJOV-LURJTMIESA-N
MW244.24 g/mol
LogP2.93
Rot. Bonds5

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

2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid (PubChem CID 68815849) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid
PubChem CID68815849
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid
SMILESCC[C@H](C)Nc1cc(C(=O)O)cc(C(F)F)n1
InChIInChI=1S/C11H14F2N2O2/c1-3-6(2)14-9-5-7(11(16)17)4-8(15-9)10(12)13/h4-6,10H,3H2,1-2H3,(H,14,15)(H,16,17)/t6-/m0/s1
InChIKeyZJETVKNVKMWJOV-LURJTMIESA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.93
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-(difluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid (CID 68815849) is 2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid is CC[C@H](C)Nc1cc(C(=O)O)cc(C(F)F)n1.
What is the InChIKey of 2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is ZJETVKNVKMWJOV-LURJTMIESA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-3-6(2)14-9-5-7(11(16)17)4-8(15-9)10(12)13/h4-6,10H,3H2,1-2H3,(H,14,15)(H,16,17)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid?
2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 244.24 g/mol, XLogP of 2.93, 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-(difluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 68815849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).