5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid

C14H15F3N2O3 — CID 124702553

IUPAC5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)9-2-1-3-10(6-9)19-12(20)8-4-5-11(13(21)22)18-7-8/h4-5,7,9-10H,1-3,6H2,(H,19,20)(H,21,22)/t9-,10-/m1/s1
InChIKeyNYZCTXRIVONBDF-NXEZZACHSA-N
MW316.28 g/mol
LogP2.63
Rot. Bonds3

About 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid

5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 124702553) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID124702553
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)9-2-1-3-10(6-9)19-12(20)8-4-5-11(13(21)22)18-7-8/h4-5,7,9-10H,1-3,6H2,(H,19,20)(H,21,22)/t9-,10-/m1/s1
InChIKeyNYZCTXRIVONBDF-NXEZZACHSA-N
XLogP2.63
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 113226189
5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 61380872
6-(azepan-1-yl)-N-[(3S,5S)-3,5-bis(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 37319301
5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 103714417
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid (CID 124702553) is 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid is O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is NYZCTXRIVONBDF-NXEZZACHSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-14(16,17)9-2-1-3-10(6-9)19-12(20)8-4-5-11(13(21)22)18-7-8/h4-5,7,9-10H,1-3,6H2,(H,19,20)(H,21,22)/t9-,10-/m1/s1.
What are the key properties of 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 316.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 124702553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).