2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid

C12H11F3N2O3 — CID 63614111

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)6-17(7-3-4-7)10(18)9-8(11(19)20)2-1-5-16-9/h1-2,5,7H,3-4,6H2,(H,19,20)
InChIKeyXBGWYIUWZCVWQX-UHFFFAOYSA-N
MW288.22 g/mol
LogP1.95
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid

2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63614111) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63614111
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)6-17(7-3-4-7)10(18)9-8(11(19)20)2-1-5-16-9/h1-2,5,7H,3-4,6H2,(H,19,20)
InChIKeyXBGWYIUWZCVWQX-UHFFFAOYSA-N
XLogP1.95
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63616260
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90554677
N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63108556
N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55010203
2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 82733799
pyridine-2,3-dicarboxylic acid
CID 1066
N-cyclopropyl-6-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 115497708
2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103857135
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid (CID 63614111) is 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is XBGWYIUWZCVWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)6-17(7-3-4-7)10(18)9-8(11(19)20)2-1-5-16-9/h1-2,5,7H,3-4,6H2,(H,19,20).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 288.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63614111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).