(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone

C15H14ClNO2 — CID 86596737

IUPAC(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Cl)nc2OC)cc1
InChIInChI=1S/C15H14ClNO2/c1-3-10-4-6-11(7-5-10)14(18)12-8-9-13(16)17-15(12)19-2/h4-9H,3H2,1-2H3
InChIKeyJQRMFKSWLYIFRU-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.54
Rot. Bonds4

About (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone

(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone (PubChem CID 86596737) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone
PubChem CID86596737
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Cl)nc2OC)cc1
InChIInChI=1S/C15H14ClNO2/c1-3-10-4-6-11(7-5-10)14(18)12-8-9-13(16)17-15(12)19-2/h4-9H,3H2,1-2H3
InChIKeyJQRMFKSWLYIFRU-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.54
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

6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride
CID 156880920
6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid
CID 63538850
(2,6-dimethoxyphenyl)-(4-ethylphenyl)methanone
CID 43338330
(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone
CID 58565891
(4-chlorophenyl)-(2,4-dimethoxypyrimidin-5-yl)methanone
CID 102421117
(3,5-dichlorophenyl)-(4-ethylphenyl)methanone
CID 24723207
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylbenzamide
CID 107301269
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986
(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone
CID 14143073
4-ethylbenzoyl iodide
CID 89147367
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone?
The IUPAC name of (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone (CID 86596737) is (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone?
The canonical SMILES for (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2ccc(Cl)nc2OC)cc1.
What is the InChIKey of (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone?
The InChIKey is JQRMFKSWLYIFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-3-10-4-6-11(7-5-10)14(18)12-8-9-13(16)17-15(12)19-2/h4-9H,3H2,1-2H3.
What are the key properties of (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone?
(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone has a molecular weight of 275.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 86596737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).