2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

C10H7ClFN3O — CID 136847768

IUPAC2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ncccc2Cl)[nH]c(=O)c1F
InChIInChI=1S/C10H7ClFN3O/c1-5-7(12)10(16)15-9(14-5)8-6(11)3-2-4-13-8/h2-4H,1H3,(H,14,15,16)
InChIKeyDXJHJGAWDYFEDQ-UHFFFAOYSA-N
MW239.64 g/mol
LogP1.93
Rot. Bonds1

About 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136847768) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136847768
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ncccc2Cl)[nH]c(=O)c1F
InChIInChI=1S/C10H7ClFN3O/c1-5-7(12)10(16)15-9(14-5)8-6(11)3-2-4-13-8/h2-4H,1H3,(H,14,15,16)
InChIKeyDXJHJGAWDYFEDQ-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136847768) is 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(-c2ncccc2Cl)[nH]c(=O)c1F.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DXJHJGAWDYFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c1-5-7(12)10(16)15-9(14-5)8-6(11)3-2-4-13-8/h2-4H,1H3,(H,14,15,16).
What are the key properties of 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 239.64 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136847768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).