3-bromo-4,6,8-trichloro-2-methylquinoline

C10H5BrCl3N — CID 121236219

IUPAC3-bromo-4,6,8-trichloro-2-methylquinoline
SMILESCc1nc2c(Cl)cc(Cl)cc2c(Cl)c1Br
InChIInChI=1S/C10H5BrCl3N/c1-4-8(11)9(14)6-2-5(12)3-7(13)10(6)15-4/h2-3H,1H3
InChIKeyMHPCNFPOVRUZDE-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.27
Rot. Bonds

About 3-bromo-4,6,8-trichloro-2-methylquinoline

3-bromo-4,6,8-trichloro-2-methylquinoline (PubChem CID 121236219) has the molecular formula C10H5BrCl3N and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-bromo-4,6,8-trichloro-2-methylquinoline.

Molecular Properties

Compound Name3-bromo-4,6,8-trichloro-2-methylquinoline
PubChem CID121236219
Molecular FormulaC10H5BrCl3N
Molecular Weight325.42 g/mol
Exact Mass322.87
IUPAC Name3-bromo-4,6,8-trichloro-2-methylquinoline
SMILESCc1nc2c(Cl)cc(Cl)cc2c(Cl)c1Br
InChIInChI=1S/C10H5BrCl3N/c1-4-8(11)9(14)6-2-5(12)3-7(13)10(6)15-4/h2-3H,1H3
InChIKeyMHPCNFPOVRUZDE-UHFFFAOYSA-N
XLogP5.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6,8-trichloro-2,3-dimethylquinoline
CID 63409062
2,3,4,6,8-pentachloroquinoline
CID 97181861
3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline
CID 121237017
3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline
CID 157046873
(6,8-dichloro-4-methylquinolin-2-yl)methanamine
CID 82573654
6,8-dichloro-4-methylquinoline-2-carbonitrile
CID 82573278
2,4,6,8-tetrachloroquinazoline
CID 12703363
6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 632567
6,8-dichloro-2-methylquinoline-4-carbonitrile
CID 82449362
2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol
CID 82449382
4,8-dibromo-3-chloro-2,6-dimethylquinoline
CID 121236438
4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline
CID 107607583

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,6,8-trichloro-2-methylquinoline?
The IUPAC name of 3-bromo-4,6,8-trichloro-2-methylquinoline (CID 121236219) is 3-bromo-4,6,8-trichloro-2-methylquinoline.
What is the SMILES notation for 3-bromo-4,6,8-trichloro-2-methylquinoline?
The canonical SMILES for 3-bromo-4,6,8-trichloro-2-methylquinoline is Cc1nc2c(Cl)cc(Cl)cc2c(Cl)c1Br.
What is the InChIKey of 3-bromo-4,6,8-trichloro-2-methylquinoline?
The InChIKey is MHPCNFPOVRUZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl3N/c1-4-8(11)9(14)6-2-5(12)3-7(13)10(6)15-4/h2-3H,1H3.
What are the key properties of 3-bromo-4,6,8-trichloro-2-methylquinoline?
3-bromo-4,6,8-trichloro-2-methylquinoline has a molecular weight of 325.42 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,6,8-trichloro-2-methylquinoline is sourced from PubChem (CID 121236219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).