4-chloro-5,7-difluoro-6-iodo-3-methylquinoline

C10H5ClF2IN — CID 171373342

IUPAC4-chloro-5,7-difluoro-6-iodo-3-methylquinoline
SMILESCc1cnc2cc(F)c(I)c(F)c2c1Cl
InChIInChI=1S/C10H5ClF2IN/c1-4-3-15-6-2-5(12)10(14)9(13)7(6)8(4)11/h2-3H,1H3
InChIKeyCJXCDJCWHAMXMU-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.08
Rot. Bonds

About 4-chloro-5,7-difluoro-6-iodo-3-methylquinoline

4-chloro-5,7-difluoro-6-iodo-3-methylquinoline (PubChem CID 171373342) has the molecular formula C10H5ClF2IN and a molecular weight of 339.51 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-6-iodo-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-6-iodo-3-methylquinoline
PubChem CID171373342
Molecular FormulaC10H5ClF2IN
Molecular Weight339.51 g/mol
Exact Mass338.91
IUPAC Name4-chloro-5,7-difluoro-6-iodo-3-methylquinoline
SMILESCc1cnc2cc(F)c(I)c(F)c2c1Cl
InChIInChI=1S/C10H5ClF2IN/c1-4-3-15-6-2-5(12)10(14)9(13)7(6)8(4)11/h2-3H,1H3
InChIKeyCJXCDJCWHAMXMU-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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4,8-dichloro-5,6-difluoro-3-methylquinoline
CID 171373412
4-chloro-8-fluoro-5-iodo-3-methylquinoline
CID 171373210
5,7-dibromo-4-chloro-3-methylquinoline
CID 171373362
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
4-chloro-7-iodo-3-methylquinoline
CID 163475461
4-chloro-6,8-difluoro-3,7-dimethylquinoline
CID 171373268
4-chloro-3,6,7-trimethylquinoline
CID 131861534
8-bromo-4-chloro-6,7-difluoro-3-methylquinoline
CID 171373376
4,6,7-trichloro-8-fluoro-3-methylquinoline
CID 171373330
4,5,7,8-tetrachloro-3-methylquinoline
CID 171373423
6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline
CID 170448621

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-6-iodo-3-methylquinoline?
The IUPAC name of 4-chloro-5,7-difluoro-6-iodo-3-methylquinoline (CID 171373342) is 4-chloro-5,7-difluoro-6-iodo-3-methylquinoline.
What is the SMILES notation for 4-chloro-5,7-difluoro-6-iodo-3-methylquinoline?
The canonical SMILES for 4-chloro-5,7-difluoro-6-iodo-3-methylquinoline is Cc1cnc2cc(F)c(I)c(F)c2c1Cl.
What is the InChIKey of 4-chloro-5,7-difluoro-6-iodo-3-methylquinoline?
The InChIKey is CJXCDJCWHAMXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2IN/c1-4-3-15-6-2-5(12)10(14)9(13)7(6)8(4)11/h2-3H,1H3.
What are the key properties of 4-chloro-5,7-difluoro-6-iodo-3-methylquinoline?
4-chloro-5,7-difluoro-6-iodo-3-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-5,7-difluoro-6-iodo-3-methylquinoline is sourced from PubChem (CID 171373342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).