4,5,6-trichloro-2-methylquinoline

C10H6Cl3N — CID 69171121

IUPAC4,5,6-trichloro-2-methylquinoline
SMILESCc1cc(Cl)c2c(Cl)c(Cl)ccc2n1
InChIInChI=1S/C10H6Cl3N/c1-5-4-7(12)9-8(14-5)3-2-6(11)10(9)13/h2-4H,1H3
InChIKeyPSIXVDZRWYZCDH-UHFFFAOYSA-N
MW246.52 g/mol
LogP4.50
Rot. Bonds

About 4,5,6-trichloro-2-methylquinoline

4,5,6-trichloro-2-methylquinoline (PubChem CID 69171121) has the molecular formula C10H6Cl3N and a molecular weight of 246.52 g/mol. Its IUPAC name is 4,5,6-trichloro-2-methylquinoline.

Molecular Properties

Compound Name4,5,6-trichloro-2-methylquinoline
PubChem CID69171121
Molecular FormulaC10H6Cl3N
Molecular Weight246.52 g/mol
Exact Mass244.96
IUPAC Name4,5,6-trichloro-2-methylquinoline
SMILESCc1cc(Cl)c2c(Cl)c(Cl)ccc2n1
InChIInChI=1S/C10H6Cl3N/c1-5-4-7(12)9-8(14-5)3-2-6(11)10(9)13/h2-4H,1H3
InChIKeyPSIXVDZRWYZCDH-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trichloro-2-methylquinoline?
The IUPAC name of 4,5,6-trichloro-2-methylquinoline (CID 69171121) is 4,5,6-trichloro-2-methylquinoline.
What is the SMILES notation for 4,5,6-trichloro-2-methylquinoline?
The canonical SMILES for 4,5,6-trichloro-2-methylquinoline is Cc1cc(Cl)c2c(Cl)c(Cl)ccc2n1.
What is the InChIKey of 4,5,6-trichloro-2-methylquinoline?
The InChIKey is PSIXVDZRWYZCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N/c1-5-4-7(12)9-8(14-5)3-2-6(11)10(9)13/h2-4H,1H3.
What are the key properties of 4,5,6-trichloro-2-methylquinoline?
4,5,6-trichloro-2-methylquinoline has a molecular weight of 246.52 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trichloro-2-methylquinoline is sourced from PubChem (CID 69171121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).