4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

C12H10ClF2N3O — CID 164918519

IUPAC4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(Cl)c2cc(C3(C(F)F)CC3)c(=O)[nH]c2n1
InChIInChI=1S/C12H10ClF2N3O/c1-5-16-8(13)6-4-7(10(19)18-9(6)17-5)12(2-3-12)11(14)15/h4,11H,2-3H2,1H3,(H,16,17,18,19)
InChIKeyUPZSWHNEWFSGKG-UHFFFAOYSA-N
MW285.68 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 164918519) has the molecular formula C12H10ClF2N3O and a molecular weight of 285.68 g/mol. Its IUPAC name is 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID164918519
Molecular FormulaC12H10ClF2N3O
Molecular Weight285.68 g/mol
Exact Mass285.05
IUPAC Name4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(Cl)c2cc(C3(C(F)F)CC3)c(=O)[nH]c2n1
InChIInChI=1S/C12H10ClF2N3O/c1-5-16-8(13)6-4-7(10(19)18-9(6)17-5)12(2-3-12)11(14)15/h4,11H,2-3H2,1H3,(H,16,17,18,19)
InChIKeyUPZSWHNEWFSGKG-UHFFFAOYSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 164918519) is 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(Cl)c2cc(C3(C(F)F)CC3)c(=O)[nH]c2n1.
What is the InChIKey of 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UPZSWHNEWFSGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O/c1-5-16-8(13)6-4-7(10(19)18-9(6)17-5)12(2-3-12)11(14)15/h4,11H,2-3H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 285.68 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-(difluoromethyl)cyclopropyl]-2-methyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 164918519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).