2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

C14H18ClNO2 — CID 103450636

IUPAC2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2ccncc2Cl)CC1
InChIInChI=1S/C14H18ClNO2/c1-10-2-5-14(18,6-3-10)13(17)8-11-4-7-16-9-12(11)15/h4,7,9-10,18H,2-3,5-6,8H2,1H3
InChIKeyLPBNMPNHTMMZCB-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.79
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (PubChem CID 103450636) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
PubChem CID103450636
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2ccncc2Cl)CC1
InChIInChI=1S/C14H18ClNO2/c1-10-2-5-14(18,6-3-10)13(17)8-11-4-7-16-9-12(11)15/h4,7,9-10,18H,2-3,5-6,8H2,1H3
InChIKeyLPBNMPNHTMMZCB-UHFFFAOYSA-N
XLogP2.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116579224
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750292
2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450708
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070162
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766528
2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide
CID 122134810
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 103450798
1-[(3-chloropyridine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66462007
1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
CID 103450918
2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450762
2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447755

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (CID 103450636) is 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is CC1CCC(O)(C(=O)Cc2ccncc2Cl)CC1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The InChIKey is LPBNMPNHTMMZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-2-5-14(18,6-3-10)13(17)8-11-4-7-16-9-12(11)15/h4,7,9-10,18H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 103450636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).