2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one

C9H6ClN3O — CID 117260659

IUPAC2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)ncc1-c1ccccn1
InChIInChI=1S/C9H6ClN3O/c10-9-12-5-6(8(14)13-9)7-3-1-2-4-11-7/h1-5H,(H,12,13,14)
InChIKeyVZVLYGQABIEWNP-UHFFFAOYSA-N
MW207.62 g/mol
LogP1.49
Rot. Bonds1

About 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one

2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 117260659) has the molecular formula C9H6ClN3O and a molecular weight of 207.62 g/mol. Its IUPAC name is 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID117260659
Molecular FormulaC9H6ClN3O
Molecular Weight207.62 g/mol
Exact Mass207.02
IUPAC Name2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)ncc1-c1ccccn1
InChIInChI=1S/C9H6ClN3O/c10-9-12-5-6(8(14)13-9)7-3-1-2-4-11-7/h1-5H,(H,12,13,14)
InChIKeyVZVLYGQABIEWNP-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,5-dichloro-3-pyridin-2-ylpyridine
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palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782
3-chloro-6-hexyl-5-pyridin-2-yl-1H-pyridin-2-one
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bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one (CID 117260659) is 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(Cl)ncc1-c1ccccn1.
What is the InChIKey of 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is VZVLYGQABIEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O/c10-9-12-5-6(8(14)13-9)7-3-1-2-4-11-7/h1-5H,(H,12,13,14).
What are the key properties of 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one?
2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 207.62 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 117260659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).