2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one

C10H7ClFNO — CID 87412868

IUPAC2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one
SMILESCc1c(Cl)[nH]c2cccc(F)c2c1=O
InChIInChI=1S/C10H7ClFNO/c1-5-9(14)8-6(12)3-2-4-7(8)13-10(5)11/h2-4H,1H3,(H,13,14)
InChIKeyZHUIQYNWMISSGP-UHFFFAOYSA-N
MW211.62 g/mol
LogP2.63
Rot. Bonds

About 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one

2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one (PubChem CID 87412868) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one
PubChem CID87412868
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one
SMILESCc1c(Cl)[nH]c2cccc(F)c2c1=O
InChIInChI=1S/C10H7ClFNO/c1-5-9(14)8-6(12)3-2-4-7(8)13-10(5)11/h2-4H,1H3,(H,13,14)
InChIKeyZHUIQYNWMISSGP-UHFFFAOYSA-N
XLogP2.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one (CID 87412868) is 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one is Cc1c(Cl)[nH]c2cccc(F)c2c1=O.
What is the InChIKey of 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one?
The InChIKey is ZHUIQYNWMISSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c1-5-9(14)8-6(12)3-2-4-7(8)13-10(5)11/h2-4H,1H3,(H,13,14).
What are the key properties of 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one?
2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one has a molecular weight of 211.62 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 87412868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).