4-chloro-6,8-difluoro-3-iodo-2-methylquinoline

C10H5ClF2IN — CID 121236848

IUPAC4-chloro-6,8-difluoro-3-iodo-2-methylquinoline
SMILESCc1nc2c(F)cc(F)cc2c(Cl)c1I
InChIInChI=1S/C10H5ClF2IN/c1-4-9(14)8(11)6-2-5(12)3-7(13)10(6)15-4/h2-3H,1H3
InChIKeyQYVHVVNHZFKPDI-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.08
Rot. Bonds

About 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline

4-chloro-6,8-difluoro-3-iodo-2-methylquinoline (PubChem CID 121236848) has the molecular formula C10H5ClF2IN and a molecular weight of 339.51 g/mol. Its IUPAC name is 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline.

Molecular Properties

Compound Name4-chloro-6,8-difluoro-3-iodo-2-methylquinoline
PubChem CID121236848
Molecular FormulaC10H5ClF2IN
Molecular Weight339.51 g/mol
Exact Mass338.91
IUPAC Name4-chloro-6,8-difluoro-3-iodo-2-methylquinoline
SMILESCc1nc2c(F)cc(F)cc2c(Cl)c1I
InChIInChI=1S/C10H5ClF2IN/c1-4-9(14)8(11)6-2-5(12)3-7(13)10(6)15-4/h2-3H,1H3
InChIKeyQYVHVVNHZFKPDI-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline?
The IUPAC name of 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline (CID 121236848) is 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline.
What is the SMILES notation for 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline?
The canonical SMILES for 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline is Cc1nc2c(F)cc(F)cc2c(Cl)c1I.
What is the InChIKey of 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline?
The InChIKey is QYVHVVNHZFKPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2IN/c1-4-9(14)8(11)6-2-5(12)3-7(13)10(6)15-4/h2-3H,1H3.
What are the key properties of 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline?
4-chloro-6,8-difluoro-3-iodo-2-methylquinoline has a molecular weight of 339.51 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,8-difluoro-3-iodo-2-methylquinoline is sourced from PubChem (CID 121236848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).