1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine

C14H13ClN2 — CID 166068550

IUPAC1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine
SMILESClC1c2ccncc2CCN1c1ccccc1
InChIInChI=1S/C14H13ClN2/c15-14-13-6-8-16-10-11(13)7-9-17(14)12-4-2-1-3-5-12/h1-6,8,10,14H,7,9H2
InChIKeyOVJFZSGUCOMUQB-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.38
Rot. Bonds1

About 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine

1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 166068550) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID166068550
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine
SMILESClC1c2ccncc2CCN1c1ccccc1
InChIInChI=1S/C14H13ClN2/c15-14-13-6-8-16-10-11(13)7-9-17(14)12-4-2-1-3-5-12/h1-6,8,10,14H,7,9H2
InChIKeyOVJFZSGUCOMUQB-UHFFFAOYSA-N
XLogP3.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-chloro-5,6,7,8-tetrahydroisoquinoline
CID 124706971
1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 146165240
1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 156774963
1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 153364917
6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 12042863
(5R)-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 92845053
1-methyl-2-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142625962
5,6-dihydrobenzo[f]isoquinoline
CID 14566470
ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 170960546
1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 132543559
2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 164880602
cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400666

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine (CID 166068550) is 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine is ClC1c2ccncc2CCN1c1ccccc1.
What is the InChIKey of 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is OVJFZSGUCOMUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-14-13-6-8-16-10-11(13)7-9-17(14)12-4-2-1-3-5-12/h1-6,8,10,14H,7,9H2.
What are the key properties of 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine?
1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 244.73 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-phenyl-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 166068550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).