2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one

C15H10FN3O — CID 136668740

IUPAC2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccnc2)nc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C15H10FN3O/c16-12-5-1-3-10(7-12)15-18-13(8-14(20)19-15)11-4-2-6-17-9-11/h1-9H,(H,18,19,20)
InChIKeyHTQYZFWHQDCBDP-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.64
Rot. Bonds2

About 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one

2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 136668740) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID136668740
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccnc2)nc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C15H10FN3O/c16-12-5-1-3-10(7-12)15-18-13(8-14(20)19-15)11-4-2-6-17-9-11/h1-9H,(H,18,19,20)
InChIKeyHTQYZFWHQDCBDP-UHFFFAOYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 79431652
2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135891008
3-[5-(chloromethyl)-2-(3-fluorophenyl)-1H-imidazol-4-yl]pyridine;dihydrochloride
CID 67546965
2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135418402
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-(3-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000859
2-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966207
2-[3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135948717
2-(3-fluorophenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978440
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid
CID 154890364

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one (CID 136668740) is 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one is O=c1cc(-c2cccnc2)nc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is HTQYZFWHQDCBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-12-5-1-3-10(7-12)15-18-13(8-14(20)19-15)11-4-2-6-17-9-11/h1-9H,(H,18,19,20).
What are the key properties of 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one?
2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 267.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136668740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).