(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone

C16H14ClNO — CID 116505677

IUPAC(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C16H14ClNO/c17-15-9-8-14(10-18-15)16(19)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3H2
InChIKeyRSWDYHIFVSUJQI-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.23
Rot. Bonds3

About (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone

(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone (PubChem CID 116505677) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
PubChem CID116505677
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C16H14ClNO/c17-15-9-8-14(10-18-15)16(19)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3H2
InChIKeyRSWDYHIFVSUJQI-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506
(4-cyclobutylphenyl)-(2-methyl-4-pyridinyl)methanone
CID 106754787
(6-chloro-3-pyridinyl)-cyclopropylmethanone
CID 11550101
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
(4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone
CID 105131700
6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide
CID 134022024
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411
cyclohexyl 6-chloropyridine-3-carboxylate
CID 60716124
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799605
(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone
CID 106683716

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone (CID 116505677) is (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone is O=C(c1ccc(C2CCC2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone?
The InChIKey is RSWDYHIFVSUJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-15-9-8-14(10-18-15)16(19)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3H2.
What are the key properties of (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone?
(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone has a molecular weight of 271.75 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone is sourced from PubChem (CID 116505677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).