ethyl 1-chloro-2,6-naphthyridine-3-carboxylate

C11H9ClN2O2 — CID 166806607

IUPACethyl 1-chloro-2,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cnccc2c(Cl)n1
InChIInChI=1S/C11H9ClN2O2/c1-2-16-11(15)9-5-7-6-13-4-3-8(7)10(12)14-9/h3-6H,2H2,1H3
InChIKeyJSCGEYCIHGGUIF-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.46
Rot. Bonds2

About ethyl 1-chloro-2,6-naphthyridine-3-carboxylate

ethyl 1-chloro-2,6-naphthyridine-3-carboxylate (PubChem CID 166806607) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is ethyl 1-chloro-2,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-chloro-2,6-naphthyridine-3-carboxylate
PubChem CID166806607
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Nameethyl 1-chloro-2,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cnccc2c(Cl)n1
InChIInChI=1S/C11H9ClN2O2/c1-2-16-11(15)9-5-7-6-13-4-3-8(7)10(12)14-9/h3-6H,2H2,1H3
InChIKeyJSCGEYCIHGGUIF-UHFFFAOYSA-N
XLogP2.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.46
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

ethyl 1-bromo-2,7-naphthyridine-3-carboxylate
CID 71748439
ethyl (E)-3-(7-chloroisoquinolin-5-yl)prop-2-enoate
CID 82579891
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate
CID 146220672
2-propoxyethyl 1-chloroisoquinoline-3-carboxylate
CID 63840321
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134662482
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59699624
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate
CID 114204873

Frequently Asked Questions

What is the IUPAC name of ethyl 1-chloro-2,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-chloro-2,6-naphthyridine-3-carboxylate (CID 166806607) is ethyl 1-chloro-2,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-chloro-2,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-chloro-2,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2cnccc2c(Cl)n1.
What is the InChIKey of ethyl 1-chloro-2,6-naphthyridine-3-carboxylate?
The InChIKey is JSCGEYCIHGGUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-2-16-11(15)9-5-7-6-13-4-3-8(7)10(12)14-9/h3-6H,2H2,1H3.
What are the key properties of ethyl 1-chloro-2,6-naphthyridine-3-carboxylate?
ethyl 1-chloro-2,6-naphthyridine-3-carboxylate has a molecular weight of 236.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-chloro-2,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 166806607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).