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

C15H14ClNO3 — CID 103443277

IUPAC(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1ncccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-19-9-10-20-13-7-3-2-5-11(13)15(18)14-12(16)6-4-8-17-14/h2-8H,9-10H2,1H3
InChIKeyQAMFYBXXHDRAIY-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.99
Rot. Bonds6

About (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone

(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 103443277) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID103443277
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1ncccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-19-9-10-20-13-7-3-2-5-11(13)15(18)14-12(16)6-4-8-17-14/h2-8H,9-10H2,1H3
InChIKeyQAMFYBXXHDRAIY-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659417
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
[5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone
CID 19701623
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659439
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 103444018

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 103443277) is (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is QAMFYBXXHDRAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-9-10-20-13-7-3-2-5-11(13)15(18)14-12(16)6-4-8-17-14/h2-8H,9-10H2,1H3.
What are the key properties of (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(3-chloro-2-pyridinyl)-[2-(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 (3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 103443277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).