2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide

C13H14ClF3N2O — CID 60727535

IUPAC2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cccnc1Cl
InChIInChI=1S/C13H14ClF3N2O/c14-11-10(2-1-7-18-11)12(20)19-9-5-3-8(4-6-9)13(15,16)17/h1-2,7-9H,3-6H2,(H,19,20)
InChIKeyLCSAVPHTHFFKEI-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.59
Rot. Bonds2

About 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide

2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 60727535) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID60727535
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.71 g/mol
Exact Mass306.07
IUPAC Name2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cccnc1Cl
InChIInChI=1S/C13H14ClF3N2O/c14-11-10(2-1-7-18-11)12(20)19-9-5-3-8(4-6-9)13(15,16)17/h1-2,7-9H,3-6H2,(H,19,20)
InChIKeyLCSAVPHTHFFKEI-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
CID 60728134
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 61213533
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 62233843
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515793
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (CID 60727535) is 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is LCSAVPHTHFFKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c14-11-10(2-1-7-18-11)12(20)19-9-5-3-8(4-6-9)13(15,16)17/h1-2,7-9H,3-6H2,(H,19,20).
What are the key properties of 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 60727535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).