4-chloro-7-iodo-3-methylquinoline

C10H7ClIN — CID 163475461

IUPAC4-chloro-7-iodo-3-methylquinoline
SMILESCc1cnc2cc(I)ccc2c1Cl
InChIInChI=1S/C10H7ClIN/c1-6-5-13-9-4-7(12)2-3-8(9)10(6)11/h2-5H,1H3
InChIKeyBZZSWINLDYRPRY-UHFFFAOYSA-N
MW303.53 g/mol
LogP3.80
Rot. Bonds

About 4-chloro-7-iodo-3-methylquinoline

4-chloro-7-iodo-3-methylquinoline (PubChem CID 163475461) has the molecular formula C10H7ClIN and a molecular weight of 303.53 g/mol. Its IUPAC name is 4-chloro-7-iodo-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-7-iodo-3-methylquinoline
PubChem CID163475461
Molecular FormulaC10H7ClIN
Molecular Weight303.53 g/mol
Exact Mass302.93
IUPAC Name4-chloro-7-iodo-3-methylquinoline
SMILESCc1cnc2cc(I)ccc2c1Cl
InChIInChI=1S/C10H7ClIN/c1-6-5-13-9-4-7(12)2-3-8(9)10(6)11/h2-5H,1H3
InChIKeyBZZSWINLDYRPRY-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.53
LogP ≤ 53.80
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-7-iodo-3-methylquinoline?
The IUPAC name of 4-chloro-7-iodo-3-methylquinoline (CID 163475461) is 4-chloro-7-iodo-3-methylquinoline.
What is the SMILES notation for 4-chloro-7-iodo-3-methylquinoline?
The canonical SMILES for 4-chloro-7-iodo-3-methylquinoline is Cc1cnc2cc(I)ccc2c1Cl.
What is the InChIKey of 4-chloro-7-iodo-3-methylquinoline?
The InChIKey is BZZSWINLDYRPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClIN/c1-6-5-13-9-4-7(12)2-3-8(9)10(6)11/h2-5H,1H3.
What are the key properties of 4-chloro-7-iodo-3-methylquinoline?
4-chloro-7-iodo-3-methylquinoline has a molecular weight of 303.53 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-iodo-3-methylquinoline is sourced from PubChem (CID 163475461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).