cyclohexyl 6-chloropyridine-3-carboxylate

C12H14ClNO2 — CID 60716124

IUPACcyclohexyl 6-chloropyridine-3-carboxylate
SMILESO=C(OC1CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClNO2/c13-11-7-6-9(8-14-11)12(15)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyXANHUUQQVDLAJV-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.22
Rot. Bonds2

About cyclohexyl 6-chloropyridine-3-carboxylate

cyclohexyl 6-chloropyridine-3-carboxylate (PubChem CID 60716124) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is cyclohexyl 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 6-chloropyridine-3-carboxylate
PubChem CID60716124
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Namecyclohexyl 6-chloropyridine-3-carboxylate
SMILESO=C(OC1CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClNO2/c13-11-7-6-9(8-14-11)12(15)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyXANHUUQQVDLAJV-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methylcyclohexyl) 6-chloropyridine-3-carboxylate
CID 60715692
cyclohexyl 2,6-dichloropyridine-4-carboxylate
CID 22157828
[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 6-chloropyridine-3-carboxylate
CID 1431901
cyclopentyl 4-fluorobenzoate
CID 579482
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 2628800
cyclopentyl quinoline-3-carboxylate
CID 91372569
(6-chloro-3-pyridinyl)-cyclopropylmethanone
CID 11550101
cyclopentyl pyrimidine-5-carboxylate
CID 59148591
6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide
CID 46579918
chloromethyl 6-chloropyridine-3-carboxylate
CID 22459863
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexyl 5-(4-chlorophenyl)pyridine-2-carboxylate
CID 91256169

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 6-chloropyridine-3-carboxylate?
The IUPAC name of cyclohexyl 6-chloropyridine-3-carboxylate (CID 60716124) is cyclohexyl 6-chloropyridine-3-carboxylate.
What is the SMILES notation for cyclohexyl 6-chloropyridine-3-carboxylate?
The canonical SMILES for cyclohexyl 6-chloropyridine-3-carboxylate is O=C(OC1CCCCC1)c1ccc(Cl)nc1.
What is the InChIKey of cyclohexyl 6-chloropyridine-3-carboxylate?
The InChIKey is XANHUUQQVDLAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11-7-6-9(8-14-11)12(15)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of cyclohexyl 6-chloropyridine-3-carboxylate?
cyclohexyl 6-chloropyridine-3-carboxylate has a molecular weight of 239.70 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 60716124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).