3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine

C17H14Cl2N2O2 — CID 135181041

IUPAC3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3cn2)c1C
InChIInChI=1S/C17H14Cl2N2O2/c1-9-13(22-2)6-14(23-3)17(19)16(9)12-4-10-8-21-15(18)5-11(10)7-20-12/h4-8H,1-3H3
InChIKeyOHGHPUCLVQOBLJ-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.93
Rot. Bonds3

About 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine

3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine (PubChem CID 135181041) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine.

Molecular Properties

Compound Name3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
PubChem CID135181041
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3cn2)c1C
InChIInChI=1S/C17H14Cl2N2O2/c1-9-13(22-2)6-14(23-3)17(19)16(9)12-4-10-8-21-15(18)5-11(10)7-20-12/h4-8H,1-3H3
InChIKeyOHGHPUCLVQOBLJ-UHFFFAOYSA-N
XLogP4.93
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.93
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

3-chloro-7-(2-chloro-3,5-dimethoxy-6-propan-2-ylphenyl)-2,6-naphthyridine
CID 139385472
1-(3-azabicyclo[3.1.0]hexan-3-yl)-7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 139395439
6-(2-chloro-3,5-dimethoxy-6-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180154
1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 139395841
6-(2-chloro-3,5-dimethoxy-6-methylphenyl)-8-ethyl-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 135181366
7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine
CID 135181145
7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one
CID 139396179
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[3,4-d]pyrimidin-2-amine
CID 167095664
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine
CID 139385604
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(3-methoxyazetidin-1-yl)-2,6-naphthyridine
CID 139385138
3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine
CID 135180642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine?
The IUPAC name of 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine (CID 135181041) is 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine.
What is the SMILES notation for 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine?
The canonical SMILES for 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine is COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3cn2)c1C.
What is the InChIKey of 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine?
The InChIKey is OHGHPUCLVQOBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-9-13(22-2)6-14(23-3)17(19)16(9)12-4-10-8-21-15(18)5-11(10)7-20-12/h4-8H,1-3H3.
What are the key properties of 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine?
3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine has a molecular weight of 349.22 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine is sourced from PubChem (CID 135181041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).