[6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone

C20H14ClF2NO4 — CID 14878855

IUPAC[6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(Cl)c(F)c3F)nc2)cc1OC
InChIInChI=1S/C20H14ClF2NO4/c1-26-14-6-3-11(9-16(14)27-2)20(25)12-4-8-17(24-10-12)28-15-7-5-13(21)18(22)19(15)23/h3-10H,1-2H3
InChIKeyKSMLXVZLEQIGPG-UHFFFAOYSA-N
MW405.78 g/mol
LogP5.05
Rot. Bonds6

About [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone

[6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 14878855) has the molecular formula C20H14ClF2NO4 and a molecular weight of 405.78 g/mol. Its IUPAC name is [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone
PubChem CID14878855
Molecular FormulaC20H14ClF2NO4
Molecular Weight405.78 g/mol
Exact Mass405.06
IUPAC Name[6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(Cl)c(F)c3F)nc2)cc1OC
InChIInChI=1S/C20H14ClF2NO4/c1-26-14-6-3-11(9-16(14)27-2)20(25)12-4-8-17(24-10-12)28-15-7-5-13(21)18(22)19(15)23/h3-10H,1-2H3
InChIKeyKSMLXVZLEQIGPG-UHFFFAOYSA-N
XLogP5.05
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.78
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide
CID 59730016
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methanone
CID 114638804
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(3,4-dimethoxyphenyl)-(4-fluoro-3-nitrophenyl)methanone
CID 142658241

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone (CID 14878855) is [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Oc3ccc(Cl)c(F)c3F)nc2)cc1OC.
What is the InChIKey of [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is KSMLXVZLEQIGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO4/c1-26-14-6-3-11(9-16(14)27-2)20(25)12-4-8-17(24-10-12)28-15-7-5-13(21)18(22)19(15)23/h3-10H,1-2H3.
What are the key properties of [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone?
[6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 405.78 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 14878855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).