ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate

C16H13ClN4O2 — CID 58628200

IUPACethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2ccc(-c3ncccc3C)nc2n1
InChIInChI=1S/C16H13ClN4O2/c1-3-23-16(22)15-20-13(17)10-6-7-11(19-14(10)21-15)12-9(2)5-4-8-18-12/h4-8H,3H2,1-2H3
InChIKeyZIWIBKJRGCDLOR-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.23
Rot. Bonds3

About ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate

ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate (PubChem CID 58628200) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate
PubChem CID58628200
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Nameethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)c2ccc(-c3ncccc3C)nc2n1
InChIInChI=1S/C16H13ClN4O2/c1-3-23-16(22)15-20-13(17)10-6-7-11(19-14(10)21-15)12-9(2)5-4-8-18-12/h4-8H,3H2,1-2H3
InChIKeyZIWIBKJRGCDLOR-UHFFFAOYSA-N
XLogP3.23
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[N-(2-methylpropyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine-2-carboxylate
CID 90875376
ethyl 3-(3-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxylate
CID 55184918
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate
CID 135923345
ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate
CID 86624427
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate
CID 155117108
[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol
CID 71093827
diethyl 2-(2-chloro-3-pyridinyl)propanedioate
CID 141446952
ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
CID 175253783
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate (CID 58628200) is ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate is CCOC(=O)c1nc(Cl)c2ccc(-c3ncccc3C)nc2n1.
What is the InChIKey of ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate?
The InChIKey is ZIWIBKJRGCDLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-3-23-16(22)15-20-13(17)10-6-7-11(19-14(10)21-15)12-9(2)5-4-8-18-12/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate?
ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate has a molecular weight of 328.76 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 58628200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).