1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C14H8ClF3N4O — CID 161378012

IUPAC1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1nc(=O)n(-c2cccnc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C14H8ClF3N4O/c1-7-8-4-5-10(14(16,17)18)21-12(8)22(13(23)20-7)9-3-2-6-19-11(9)15/h2-6H,1H3
InChIKeyVRIJBLOQVKDQIV-UHFFFAOYSA-N
MW340.69 g/mol
LogP3.16
Rot. Bonds1

About 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 161378012) has the molecular formula C14H8ClF3N4O and a molecular weight of 340.69 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID161378012
Molecular FormulaC14H8ClF3N4O
Molecular Weight340.69 g/mol
Exact Mass340.03
IUPAC Name1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1nc(=O)n(-c2cccnc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C14H8ClF3N4O/c1-7-8-4-5-10(14(16,17)18)21-12(8)22(13(23)20-7)9-3-2-6-19-11(9)15/h2-6H,1H3
InChIKeyVRIJBLOQVKDQIV-UHFFFAOYSA-N
XLogP3.16
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-4-(trideuteriomethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 156514235
5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 164562834
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 148514727
5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150763
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848
1-(2-chlorophenyl)-7-methyl-4-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-2-one
CID 157172748
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085
1-(2-chlorophenyl)-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 156541994
5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 172525530
5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562862
1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150706
3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one
CID 134092940

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 161378012) is 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is Cc1nc(=O)n(-c2cccnc2Cl)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is VRIJBLOQVKDQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O/c1-7-8-4-5-10(14(16,17)18)21-12(8)22(13(23)20-7)9-3-2-6-19-11(9)15/h2-6H,1H3.
What are the key properties of 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 340.69 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 161378012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).