4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid

C12H13F2NO2 — CID 165461596

IUPAC4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(C)(F)F)cc(C2CC2)c1C(=O)O
InChIInChI=1S/C12H13F2NO2/c1-6-10(11(16)17)8(7-3-4-7)5-9(15-6)12(2,13)14/h5,7H,3-4H2,1-2H3,(H,16,17)
InChIKeyACKMIIAAOSPIMZ-UHFFFAOYSA-N
MW241.24 g/mol
LogP3.08
Rot. Bonds3

About 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid

4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 165461596) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid
PubChem CID165461596
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(C)(F)F)cc(C2CC2)c1C(=O)O
InChIInChI=1S/C12H13F2NO2/c1-6-10(11(16)17)8(7-3-4-7)5-9(15-6)12(2,13)14/h5,7H,3-4H2,1-2H3,(H,16,17)
InChIKeyACKMIIAAOSPIMZ-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid
CID 56833188
6-(1,1-difluorobutyl)-2,4-dimethylpyridine-3-carboxylic acid
CID 165461599
6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid
CID 165461594
2-cyclopropyl-6-methyl-4-nitrosobenzoic acid
CID 143627426
4-chloro-6-cyclopentyl-2-methylpyridine-3-carboxylic acid
CID 175549709
2-cyclopropyl-4-(2-hydroxy-2-methylpropyl)sulfanyl-6-methylpyrimidine-5-carboxylic acid
CID 60886719
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
2,6-bis[chloro(difluoro)methyl]-4-methylpyridine-3-carboxylic acid
CID 165455753
4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 82372474
2-[chloro(difluoro)methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165455749
2-(1,1-difluoroethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 146589738

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid (CID 165461596) is 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid is Cc1nc(C(C)(F)F)cc(C2CC2)c1C(=O)O.
What is the InChIKey of 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is ACKMIIAAOSPIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-6-10(11(16)17)8(7-3-4-7)5-9(15-6)12(2,13)14/h5,7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid?
4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(1,1-difluoroethyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 165461596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).