3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine

C14H10Cl2F2N2 — CID 122460991

IUPAC3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESFc1ccc(-c2nc3c(cc2Cl)CN(Cl)CC3)cc1F
InChIInChI=1S/C14H10Cl2F2N2/c15-10-5-9-7-20(16)4-3-13(9)19-14(10)8-1-2-11(17)12(18)6-8/h1-2,5-6H,3-4,7H2
InChIKeyWGXGNXWQLDUFKV-UHFFFAOYSA-N
MW315.15 g/mol
LogP4.19
Rot. Bonds1

About 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine

3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 122460991) has the molecular formula C14H10Cl2F2N2 and a molecular weight of 315.15 g/mol. Its IUPAC name is 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID122460991
Molecular FormulaC14H10Cl2F2N2
Molecular Weight315.15 g/mol
Exact Mass314.02
IUPAC Name3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESFc1ccc(-c2nc3c(cc2Cl)CN(Cl)CC3)cc1F
InChIInChI=1S/C14H10Cl2F2N2/c15-10-5-9-7-20(16)4-3-13(9)19-14(10)8-1-2-11(17)12(18)6-8/h1-2,5-6H,3-4,7H2
InChIKeyWGXGNXWQLDUFKV-UHFFFAOYSA-N
XLogP4.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Chlorophenyl)methyl]-6-(1-methylpiperidin-3-YL)pyridine
CID 110249269
8-Chloro-4-piperidin-1-yl-2-(trifluoromethyl)quinoline
CID 2823145
6-Benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 16228747
2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
CID 18449165
2-Chloro-5,6,7,8-tetrahydro-6-methyl-1,6-naphthyridine-3-carbonitrile
CID 58155418
3-chloro-N-[(2-chloro-3-quinolyl)methyl]-4-fluoro-N-methyl-aniline
CID 71595757
2-(3-Chlorophenyl)-6-(1-methylpiperidin-3-YL)pyridine
CID 110249261
2-Phenyl-3-(trifluoromethyl)-6-chloropyridine
CID 59840819
3,5-Dichloro-2,6-diphenylpyridine
CID 122233243
2-Chloro-6,6-difluoro-5,6,7,8-tetrahydroquinoline
CID 167726693
2-Chloro-6-phenyl-4-(trifluoromethyl)pyridine
CID 21818175
5-Chloro-2'-fluoro-2,3'-bipyridine
CID 42553024

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 122460991) is 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine is Fc1ccc(-c2nc3c(cc2Cl)CN(Cl)CC3)cc1F.
What is the InChIKey of 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is WGXGNXWQLDUFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2/c15-10-5-9-7-20(16)4-3-13(9)19-14(10)8-1-2-11(17)12(18)6-8/h1-2,5-6H,3-4,7H2.
What are the key properties of 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine?
3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 315.15 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 122460991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).