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

C13H13BrClF3N2O — CID 62001027

IUPAC5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H13BrClF3N2O/c14-8-5-10(11(15)19-6-8)12(21)20-9-3-1-7(2-4-9)13(16,17)18/h5-7,9H,1-4H2,(H,20,21)
InChIKeyZOHXQVNZJRBGEM-UHFFFAOYSA-N
MW385.61 g/mol
LogP4.35
Rot. Bonds2

About 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 62001027) has the molecular formula C13H13BrClF3N2O and a molecular weight of 385.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID62001027
Molecular FormulaC13H13BrClF3N2O
Molecular Weight385.61 g/mol
Exact Mass383.99
IUPAC Name5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H13BrClF3N2O/c14-8-5-10(11(15)19-6-8)12(21)20-9-3-1-7(2-4-9)13(16,17)18/h5-7,9H,1-4H2,(H,20,21)
InChIKeyZOHXQVNZJRBGEM-UHFFFAOYSA-N
XLogP4.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.61
LogP ≤ 54.35
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

5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 107980263
5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 103951497
5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670012
5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
CID 104858028
5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774144
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 52780386
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 61213533
(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone
CID 119054666

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (CID 62001027) is 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is ZOHXQVNZJRBGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClF3N2O/c14-8-5-10(11(15)19-6-8)12(21)20-9-3-1-7(2-4-9)13(16,17)18/h5-7,9H,1-4H2,(H,20,21).
What are the key properties of 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 385.61 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 62001027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).