2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate

C12H15ClN2O2 — CID 176891153

IUPAC2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate
SMILESCC(=O)OCCN1CCc2nc(Cl)ccc2C1
InChIInChI=1S/C12H15ClN2O2/c1-9(16)17-7-6-15-5-4-11-10(8-15)2-3-12(13)14-11/h2-3H,4-8H2,1H3
InChIKeyLGCZEMWJJIOAKX-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.66
Rot. Bonds3

About 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate

2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate (PubChem CID 176891153) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate
PubChem CID176891153
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate
SMILESCC(=O)OCCN1CCc2nc(Cl)ccc2C1
InChIInChI=1S/C12H15ClN2O2/c1-9(16)17-7-6-15-5-4-11-10(8-15)2-3-12(13)14-11/h2-3H,4-8H2,1H3
InChIKeyLGCZEMWJJIOAKX-UHFFFAOYSA-N
XLogP1.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate 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

2-chloro-6-(2-cyclopropyloxyethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 166294019
2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 86671273
2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
CID 91140295
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene
CID 19776566
1-[(9aS)-6-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 59463575
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-4-ethylbenzene
CID 19776556
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-4-ethylbenzene;dihydrochloride
CID 19776582
6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 46839896
3-(8-thia-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2,4,6,9,11,13-heptaen-18-yl)propyl acetate
CID 12894554
2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 129100139
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 126618741

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate?
The IUPAC name of 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate (CID 176891153) is 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate.
What is the SMILES notation for 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate?
The canonical SMILES for 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate is CC(=O)OCCN1CCc2nc(Cl)ccc2C1.
What is the InChIKey of 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate?
The InChIKey is LGCZEMWJJIOAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-9(16)17-7-6-15-5-4-11-10(8-15)2-3-12(13)14-11/h2-3H,4-8H2,1H3.
What are the key properties of 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate?
2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate has a molecular weight of 254.72 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate is sourced from PubChem (CID 176891153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).