6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

C10H8ClF2N3O2 — CID 164596772

IUPAC6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(OCC(F)F)c(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C10H8ClF2N3O2/c1-4-14-8-5(9(17)15-4)2-6(11)10(16-8)18-3-7(12)13/h2,7H,3H2,1H3,(H,14,15,16,17)
InChIKeyIAVFILMIFBSTFA-UHFFFAOYSA-N
MW275.64 g/mol
LogP1.92
Rot. Bonds3

About 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 164596772) has the molecular formula C10H8ClF2N3O2 and a molecular weight of 275.64 g/mol. Its IUPAC name is 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID164596772
Molecular FormulaC10H8ClF2N3O2
Molecular Weight275.64 g/mol
Exact Mass275.03
IUPAC Name6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(OCC(F)F)c(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C10H8ClF2N3O2/c1-4-14-8-5(9(17)15-4)2-6(11)10(16-8)18-3-7(12)13/h2,7H,3H2,1H3,(H,14,15,16,17)
InChIKeyIAVFILMIFBSTFA-UHFFFAOYSA-N
XLogP1.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.64
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47220262
5-chloro-N-[[2-methyl-6-(propanoylamino)pyridin-4-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 89873930
5-chloro-N-[[2-(propanoylamino)pyridin-4-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 89874050
N-[1-(2-acetamidopyridin-4-yl)ethyl]-5-chloro-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 89874272
5-chloro-N-[1-[2-(propanoylamino)pyridin-4-yl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 89874963
6-amino-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-propan-2-yloxypyridine-3-carboxamide
CID 154993465
6-bromo-2-methyl-7-(2,2,2-trifluoroethoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 163365640
6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 164596836
5-Chloro-2-(4,4-difluoroazepan-1-yl)-6-methoxypyridine-3-carboxamide
CID 176041075
acetic acid;N-[5-chloro-6-ethoxy-3-(trifluoromethyl)-2-pyridinyl]acetamide;yttrium
CID 177979999
acetaldehyde;N-[5-chloro-6-ethoxy-3-(trifluoromethyl)-2-pyridinyl]acetamide;hypofluorous acid;yttrium
CID 177980049
[5-Chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 45903830

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 164596772) is 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1nc2nc(OCC(F)F)c(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IAVFILMIFBSTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3O2/c1-4-14-8-5(9(17)15-4)2-6(11)10(16-8)18-3-7(12)13/h2,7H,3H2,1H3,(H,14,15,16,17).
What are the key properties of 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 275.64 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 164596772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).