ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate

C11H9ClN2O3 — CID 59699624

IUPACethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2cnccc2[nH]c1=O
InChIInChI=1S/C11H9ClN2O3/c1-2-17-11(16)8-9(12)6-5-13-4-3-7(6)14-10(8)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyHSCVIYSKXQBDHN-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.75
Rot. Bonds2

About ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate

ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate (PubChem CID 59699624) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate
PubChem CID59699624
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Nameethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2cnccc2[nH]c1=O
InChIInChI=1S/C11H9ClN2O3/c1-2-17-11(16)8-9(12)6-5-13-4-3-7(6)14-10(8)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyHSCVIYSKXQBDHN-UHFFFAOYSA-N
XLogP1.75
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
CID 46867743
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate
CID 163255265
acetic acid;amino acetate;ethyl 4-chloro-6-methyl-2-oxo-1H-quinoline-3-carboxylate;ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate;ethyl 4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carboxylate;phosphoryl trichloride
CID 158324414
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
CID 118278384
ethyl 5-chloro-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 90455879
ethyl 1-chloro-2,6-naphthyridine-3-carboxylate
CID 166806607
ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 22105943
ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 913126
ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate
CID 59298517

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate (CID 59699624) is ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1c(Cl)c2cnccc2[nH]c1=O.
What is the InChIKey of ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate?
The InChIKey is HSCVIYSKXQBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-2-17-11(16)8-9(12)6-5-13-4-3-7(6)14-10(8)15/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate?
ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate has a molecular weight of 252.66 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 59699624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).