1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone

C14H12ClNO3 — CID 57391481

IUPAC1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H12ClNO3/c1-18-11-3-5-12(6-4-11)19-9-13(17)10-2-7-14(15)16-8-10/h2-8H,9H2,1H3
InChIKeyJUTHPRSLRPLRDH-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.01
Rot. Bonds5

About 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone

1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone (PubChem CID 57391481) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
PubChem CID57391481
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H12ClNO3/c1-18-11-3-5-12(6-4-11)19-9-13(17)10-2-7-14(15)16-8-10/h2-8H,9H2,1H3
InChIKeyJUTHPRSLRPLRDH-UHFFFAOYSA-N
XLogP3.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
CID 32810227
2-chloro-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 102674505
3-(6-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 55267358
2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
CID 88879940
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate
CID 110188571
N-[(6-chloro-3-pyridinyl)carbamothioyl]-4-methoxybenzamide
CID 54788297
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
CID 62416612

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone (CID 57391481) is 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone?
The InChIKey is JUTHPRSLRPLRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-18-11-3-5-12(6-4-11)19-9-13(17)10-2-7-14(15)16-8-10/h2-8H,9H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone?
1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone has a molecular weight of 277.71 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 57391481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).