(3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate

C15H20ClNO2 — CID 114197391

IUPAC(3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate
SMILESCc1cc(C(=O)OCC2CCCC(C)C2)cc(Cl)n1
InChIInChI=1S/C15H20ClNO2/c1-10-4-3-5-12(6-10)9-19-15(18)13-7-11(2)17-14(16)8-13/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyFTZRLAUBYBZTRM-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.03
Rot. Bonds3

About (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate

(3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate (PubChem CID 114197391) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Name(3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate
PubChem CID114197391
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate
SMILESCc1cc(C(=O)OCC2CCCC(C)C2)cc(Cl)n1
InChIInChI=1S/C15H20ClNO2/c1-10-4-3-5-12(6-10)9-19-15(18)13-7-11(2)17-14(16)8-13/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyFTZRLAUBYBZTRM-UHFFFAOYSA-N
XLogP4.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.03
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

cyclohexylmethyl 2,6-dichloropyridine-4-carboxylate
CID 60716775
(3-methylcyclohexyl)methyl 2-fluoropyridine-4-carboxylate
CID 113347537
(3-methylcyclopentyl)methyl 3-chloro-4,5-dihydroxybenzoate
CID 123323960
(3-methylcyclohexyl)methyl 5-bromo-2-chloropyridine-3-carboxylate
CID 114197388
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
(2-ethylcyclohexyl) 2-chloro-6-methylpyridine-4-carboxylate
CID 113379566
cyclohexylmethyl 4-amino-3,5-dichlorobenzoate
CID 82831029
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
oxan-4-ylmethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 114221381

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate?
The IUPAC name of (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate (CID 114197391) is (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate.
What is the SMILES notation for (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate?
The canonical SMILES for (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate is Cc1cc(C(=O)OCC2CCCC(C)C2)cc(Cl)n1.
What is the InChIKey of (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate?
The InChIKey is FTZRLAUBYBZTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-4-3-5-12(6-10)9-19-15(18)13-7-11(2)17-14(16)8-13/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate?
(3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)methyl 2-chloro-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 114197391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).