(2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone

C15H14ClNO3 — CID 138538855

IUPAC(2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccc(C(=O)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-8-9-20-13-4-2-11(3-5-13)15(18)12-6-7-17-14(16)10-12/h2-7,10H,8-9H2,1H3
InChIKeyXCRSXKMDHJHJGX-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.99
Rot. Bonds6

About (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone

(2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone (PubChem CID 138538855) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone
PubChem CID138538855
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccc(C(=O)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-8-9-20-13-4-2-11(3-5-13)15(18)12-6-7-17-14(16)10-12/h2-7,10H,8-9H2,1H3
InChIKeyXCRSXKMDHJHJGX-UHFFFAOYSA-N
XLogP2.99
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
propyl 2-chloropyridine-4-carboxylate
CID 24723709
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
(4-butoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 107561455
(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
CID 23012898
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
4-chloro-7-(2-methoxyethoxy)quinoline
CID 22265262
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 61295120
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone (CID 138538855) is (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccc(C(=O)c2ccnc(Cl)c2)cc1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is XCRSXKMDHJHJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-8-9-20-13-4-2-11(3-5-13)15(18)12-6-7-17-14(16)10-12/h2-7,10H,8-9H2,1H3.
What are the key properties of (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone?
(2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 291.73 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 138538855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).