3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride

C14H11ClFN3O — CID 136711472

IUPAC3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
SMILESCc1nc2[nH+]cccc2c(=O)n1-c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C14H10FN3O.ClH/c1-9-17-13-12(3-2-8-16-13)14(19)18(9)11-6-4-10(15)5-7-11;/h2-8H,1H3;1H
InChIKeyFVNVFLQUZNZDOX-UHFFFAOYSA-N
MW291.71 g/mol
LogP-1.35
Rot. Bonds1

About 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride

3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride (PubChem CID 136711472) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
PubChem CID136711472
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
SMILESCc1nc2[nH+]cccc2c(=O)n1-c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C14H10FN3O.ClH/c1-9-17-13-12(3-2-8-16-13)14(19)18(9)11-6-4-10(15)5-7-11;/h2-8H,1H3;1H
InChIKeyFVNVFLQUZNZDOX-UHFFFAOYSA-N
XLogP-1.35
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
CID 136711467
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 171649552
5-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190736
3-(4-fluorophenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one
CID 24526107
1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 3242334
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
7-fluoro-3-(3-hydroxyphenyl)-2-methylquinazolin-4-one
CID 166524233
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]pyridine
CID 14119097
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
2,5-difluoro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16799885

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride?
The IUPAC name of 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride (CID 136711472) is 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride?
The canonical SMILES for 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride is Cc1nc2[nH+]cccc2c(=O)n1-c1ccc(F)cc1.[Cl-].
What is the InChIKey of 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride?
The InChIKey is FVNVFLQUZNZDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O.ClH/c1-9-17-13-12(3-2-8-16-13)14(19)18(9)11-6-4-10(15)5-7-11;/h2-8H,1H3;1H.
What are the key properties of 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride?
3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride has a molecular weight of 291.71 g/mol, XLogP of -1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride is sourced from PubChem (CID 136711472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).