2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one

C14H9ClN4O3 — CID 142304219

IUPAC2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)c2nc(Cl)ncc12
InChIInChI=1S/C14H9ClN4O3/c1-8-5-12(20)18(13-11(8)7-16-14(15)17-13)9-3-2-4-10(6-9)19(21)22/h2-7H,1H3
InChIKeyRHTFSUQSCBCCGB-UHFFFAOYSA-N
MW316.70 g/mol
LogP2.65
Rot. Bonds2

About 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one

2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 142304219) has the molecular formula C14H9ClN4O3 and a molecular weight of 316.70 g/mol. Its IUPAC name is 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID142304219
Molecular FormulaC14H9ClN4O3
Molecular Weight316.70 g/mol
Exact Mass316.04
IUPAC Name2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)c2nc(Cl)ncc12
InChIInChI=1S/C14H9ClN4O3/c1-8-5-12(20)18(13-11(8)7-16-14(15)17-13)9-3-2-4-10(6-9)19(21)22/h2-7H,1H3
InChIKeyRHTFSUQSCBCCGB-UHFFFAOYSA-N
XLogP2.65
TPSA90.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one (CID 142304219) is 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)c2nc(Cl)ncc12.
What is the InChIKey of 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RHTFSUQSCBCCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O3/c1-8-5-12(20)18(13-11(8)7-16-14(15)17-13)9-3-2-4-10(6-9)19(21)22/h2-7H,1H3.
What are the key properties of 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one?
2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 316.70 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-8-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142304219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).