4-(3-chlorophenyl)-1H-pyrimidin-6-one

C10H7ClN2O — CID 136910487

IUPAC4-(3-chlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(Cl)c2)nc[nH]1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-2-7(4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)
InChIKeySJDOUASUTAQNBG-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.09
Rot. Bonds1

About 4-(3-chlorophenyl)-1H-pyrimidin-6-one

4-(3-chlorophenyl)-1H-pyrimidin-6-one (PubChem CID 136910487) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1H-pyrimidin-6-one
PubChem CID136910487
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name4-(3-chlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(Cl)c2)nc[nH]1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-2-7(4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)
InChIKeySJDOUASUTAQNBG-UHFFFAOYSA-N
XLogP2.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-chlorophenyl)-1H-pyrimidin-6-one (CID 136910487) is 4-(3-chlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-chlorophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2cccc(Cl)c2)nc[nH]1.
What is the InChIKey of 4-(3-chlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is SJDOUASUTAQNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-8-3-1-2-7(4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14).
What are the key properties of 4-(3-chlorophenyl)-1H-pyrimidin-6-one?
4-(3-chlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 206.63 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136910487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).