4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid

C10H11F2NO2 — CID 167511379

IUPAC4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid
SMILESCC(C)(c1ccnc(C(=O)O)c1)C(F)F
InChIInChI=1S/C10H11F2NO2/c1-10(2,9(11)12)6-3-4-13-7(5-6)8(14)15/h3-5,9H,1-2H3,(H,14,15)
InChIKeyUOORVLHHXVVTCQ-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.32
Rot. Bonds3

About 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid

4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid (PubChem CID 167511379) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid
PubChem CID167511379
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid
SMILESCC(C)(c1ccnc(C(=O)O)c1)C(F)F
InChIInChI=1S/C10H11F2NO2/c1-10(2,9(11)12)6-3-4-13-7(5-6)8(14)15/h3-5,9H,1-2H3,(H,14,15)
InChIKeyUOORVLHHXVVTCQ-UHFFFAOYSA-N
XLogP2.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid (CID 167511379) is 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid is CC(C)(c1ccnc(C(=O)O)c1)C(F)F.
What is the InChIKey of 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid?
The InChIKey is UOORVLHHXVVTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-10(2,9(11)12)6-3-4-13-7(5-6)8(14)15/h3-5,9H,1-2H3,(H,14,15).
What are the key properties of 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid?
4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid has a molecular weight of 215.20 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methylpropan-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 167511379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).