5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide

C12H14BrClN2O2 — CID 94415434

IUPAC5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H14BrClN2O2/c13-7-5-8(11(14)15-6-7)12(18)16-9-3-1-2-4-10(9)17/h5-6,9-10,17H,1-4H2,(H,16,18)/t9-,10-/m0/s1
InChIKeyDMQYMQGXLGPKQX-UWVGGRQHSA-N
MW333.61 g/mol
LogP2.53
Rot. Bonds2

About 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide (PubChem CID 94415434) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
PubChem CID94415434
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H14BrClN2O2/c13-7-5-8(11(14)15-6-7)12(18)16-9-3-1-2-4-10(9)17/h5-6,9-10,17H,1-4H2,(H,16,18)/t9-,10-/m0/s1
InChIKeyDMQYMQGXLGPKQX-UWVGGRQHSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774144
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide
CID 114089621
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 55042655
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone
CID 119054666
5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 103951497
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide (CID 94415434) is 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is DMQYMQGXLGPKQX-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c13-7-5-8(11(14)15-6-7)12(18)16-9-3-1-2-4-10(9)17/h5-6,9-10,17H,1-4H2,(H,16,18)/t9-,10-/m0/s1.
What are the key properties of 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 333.61 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 94415434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).