4,7-dichloro-8-fluoro-2-methylquinoline

C10H6Cl2FN — CID 43668400

IUPAC4,7-dichloro-8-fluoro-2-methylquinoline
SMILESCc1cc(Cl)c2ccc(Cl)c(F)c2n1
InChIInChI=1S/C10H6Cl2FN/c1-5-4-8(12)6-2-3-7(11)9(13)10(6)14-5/h2-4H,1H3
InChIKeyLMFPRBRKLFCAMJ-UHFFFAOYSA-N
MW230.07 g/mol
LogP3.99
Rot. Bonds

About 4,7-dichloro-8-fluoro-2-methylquinoline

4,7-dichloro-8-fluoro-2-methylquinoline (PubChem CID 43668400) has the molecular formula C10H6Cl2FN and a molecular weight of 230.07 g/mol. Its IUPAC name is 4,7-dichloro-8-fluoro-2-methylquinoline.

Molecular Properties

Compound Name4,7-dichloro-8-fluoro-2-methylquinoline
PubChem CID43668400
Molecular FormulaC10H6Cl2FN
Molecular Weight230.07 g/mol
Exact Mass228.99
IUPAC Name4,7-dichloro-8-fluoro-2-methylquinoline
SMILESCc1cc(Cl)c2ccc(Cl)c(F)c2n1
InChIInChI=1S/C10H6Cl2FN/c1-5-4-8(12)6-2-3-7(11)9(13)10(6)14-5/h2-4H,1H3
InChIKeyLMFPRBRKLFCAMJ-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.07
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-8-fluoro-2-methylquinoline?
The IUPAC name of 4,7-dichloro-8-fluoro-2-methylquinoline (CID 43668400) is 4,7-dichloro-8-fluoro-2-methylquinoline.
What is the SMILES notation for 4,7-dichloro-8-fluoro-2-methylquinoline?
The canonical SMILES for 4,7-dichloro-8-fluoro-2-methylquinoline is Cc1cc(Cl)c2ccc(Cl)c(F)c2n1.
What is the InChIKey of 4,7-dichloro-8-fluoro-2-methylquinoline?
The InChIKey is LMFPRBRKLFCAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN/c1-5-4-8(12)6-2-3-7(11)9(13)10(6)14-5/h2-4H,1H3.
What are the key properties of 4,7-dichloro-8-fluoro-2-methylquinoline?
4,7-dichloro-8-fluoro-2-methylquinoline has a molecular weight of 230.07 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-8-fluoro-2-methylquinoline is sourced from PubChem (CID 43668400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).