4-chloro-7-fluoro-5-methylquinoline

C10H7ClFN — CID 79049378

IUPAC4-chloro-7-fluoro-5-methylquinoline
SMILESCc1cc(F)cc2nccc(Cl)c12
InChIInChI=1S/C10H7ClFN/c1-6-4-7(12)5-9-10(6)8(11)2-3-13-9/h2-5H,1H3
InChIKeySQZBYNGWNBSCTP-UHFFFAOYSA-N
MW195.62 g/mol
LogP3.34
Rot. Bonds

About 4-chloro-7-fluoro-5-methylquinoline

4-chloro-7-fluoro-5-methylquinoline (PubChem CID 79049378) has the molecular formula C10H7ClFN and a molecular weight of 195.62 g/mol. Its IUPAC name is 4-chloro-7-fluoro-5-methylquinoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-5-methylquinoline
PubChem CID79049378
Molecular FormulaC10H7ClFN
Molecular Weight195.62 g/mol
Exact Mass195.03
IUPAC Name4-chloro-7-fluoro-5-methylquinoline
SMILESCc1cc(F)cc2nccc(Cl)c12
InChIInChI=1S/C10H7ClFN/c1-6-4-7(12)5-9-10(6)8(11)2-3-13-9/h2-5H,1H3
InChIKeySQZBYNGWNBSCTP-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-5-methylquinoline?
The IUPAC name of 4-chloro-7-fluoro-5-methylquinoline (CID 79049378) is 4-chloro-7-fluoro-5-methylquinoline.
What is the SMILES notation for 4-chloro-7-fluoro-5-methylquinoline?
The canonical SMILES for 4-chloro-7-fluoro-5-methylquinoline is Cc1cc(F)cc2nccc(Cl)c12.
What is the InChIKey of 4-chloro-7-fluoro-5-methylquinoline?
The InChIKey is SQZBYNGWNBSCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN/c1-6-4-7(12)5-9-10(6)8(11)2-3-13-9/h2-5H,1H3.
What are the key properties of 4-chloro-7-fluoro-5-methylquinoline?
4-chloro-7-fluoro-5-methylquinoline has a molecular weight of 195.62 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-5-methylquinoline is sourced from PubChem (CID 79049378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).