ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate

C10H8ClN3O3 — CID 54316935

IUPACethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(Cl)ncc2c1=O
InChIInChI=1S/C10H8ClN3O3/c1-2-17-9(16)6-4-12-8-5(7(6)15)3-13-10(11)14-8/h3-4H,2H2,1H3,(H,12,13,14,15)
InChIKeySOWKKFOWDHDXKW-UHFFFAOYSA-N
MW253.64 g/mol
LogP1.15
Rot. Bonds2

About ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 54316935) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.64 g/mol. Its IUPAC name is ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID54316935
Molecular FormulaC10H8ClN3O3
Molecular Weight253.64 g/mol
Exact Mass253.03
IUPAC Nameethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(Cl)ncc2c1=O
InChIInChI=1S/C10H8ClN3O3/c1-2-17-9(16)6-4-12-8-5(7(6)15)3-13-10(11)14-8/h3-4H,2H2,1H3,(H,12,13,14,15)
InChIKeySOWKKFOWDHDXKW-UHFFFAOYSA-N
XLogP1.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333
ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate
CID 19374300
ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692708
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433
ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59242632
ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 54383342
ethyl 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134667746
ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 13217735
ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 134914387
ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate
CID 58332139
ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 2797073
(3,5-dimethyl-1,2-thiazol-4-yl)methyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 167937880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 54316935) is ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c[nH]c2nc(Cl)ncc2c1=O.
What is the InChIKey of ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is SOWKKFOWDHDXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c1-2-17-9(16)6-4-12-8-5(7(6)15)3-13-10(11)14-8/h3-4H,2H2,1H3,(H,12,13,14,15).
What are the key properties of ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 253.64 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 54316935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).