7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine

C16H11ClF2N2 — CID 157045220

IUPAC7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine
SMILESCc1cc2c(-c3ccc(F)cc3F)nc(Cl)cc2nc1C
InChIInChI=1S/C16H11ClF2N2/c1-8-5-12-14(20-9(8)2)7-15(17)21-16(12)11-4-3-10(18)6-13(11)19/h3-7H,1-2H3
InChIKeyOHBLWWYABTWJQH-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.85
Rot. Bonds1

About 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine

7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine (PubChem CID 157045220) has the molecular formula C16H11ClF2N2 and a molecular weight of 304.73 g/mol. Its IUPAC name is 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine.

Molecular Properties

Compound Name7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine
PubChem CID157045220
Molecular FormulaC16H11ClF2N2
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine
SMILESCc1cc2c(-c3ccc(F)cc3F)nc(Cl)cc2nc1C
InChIInChI=1S/C16H11ClF2N2/c1-8-5-12-14(20-9(8)2)7-15(17)21-16(12)11-4-3-10(18)6-13(11)19/h3-7H,1-2H3
InChIKeyOHBLWWYABTWJQH-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157044809
7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
CID 157045257
6-chloro-5-fluoro-2,3-dimethylquinoline;ethane
CID 177017016
5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one
CID 177138453
3-chloro-7-fluoro-1-methylisoquinoline
CID 154728230
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
CID 157044570
4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 115915006
4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 17457742
3-chloro-7-fluoro-2-methylquinolin-4-amine
CID 121236696
2,5-dichloro-4-(2,4-difluorophenyl)pyrimidine
CID 171627408
4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;1-methylimidazole
CID 166122011
4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine?
The IUPAC name of 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine (CID 157045220) is 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine.
What is the SMILES notation for 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine?
The canonical SMILES for 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine is Cc1cc2c(-c3ccc(F)cc3F)nc(Cl)cc2nc1C.
What is the InChIKey of 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine?
The InChIKey is OHBLWWYABTWJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2/c1-8-5-12-14(20-9(8)2)7-15(17)21-16(12)11-4-3-10(18)6-13(11)19/h3-7H,1-2H3.
What are the key properties of 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine?
7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine has a molecular weight of 304.73 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine is sourced from PubChem (CID 157045220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).