2,7-dichloro-3-methylquinoline-6-carbonyl chloride

C11H6Cl3NO — CID 156830699

IUPAC2,7-dichloro-3-methylquinoline-6-carbonyl chloride
SMILESCc1cc2cc(C(=O)Cl)c(Cl)cc2nc1Cl
InChIInChI=1S/C11H6Cl3NO/c1-5-2-6-3-7(11(14)16)8(12)4-9(6)15-10(5)13/h2-4H,1H3
InChIKeyWXBAUPHDMSSMEE-UHFFFAOYSA-N
MW274.53 g/mol
LogP4.23
Rot. Bonds1

About 2,7-dichloro-3-methylquinoline-6-carbonyl chloride

2,7-dichloro-3-methylquinoline-6-carbonyl chloride (PubChem CID 156830699) has the molecular formula C11H6Cl3NO and a molecular weight of 274.53 g/mol. Its IUPAC name is 2,7-dichloro-3-methylquinoline-6-carbonyl chloride.

Molecular Properties

Compound Name2,7-dichloro-3-methylquinoline-6-carbonyl chloride
PubChem CID156830699
Molecular FormulaC11H6Cl3NO
Molecular Weight274.53 g/mol
Exact Mass272.95
IUPAC Name2,7-dichloro-3-methylquinoline-6-carbonyl chloride
SMILESCc1cc2cc(C(=O)Cl)c(Cl)cc2nc1Cl
InChIInChI=1S/C11H6Cl3NO/c1-5-2-6-3-7(11(14)16)8(12)4-9(6)15-10(5)13/h2-4H,1H3
InChIKeyWXBAUPHDMSSMEE-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.53
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2,7-dichloro-6-methoxy-3-methylquinoline
CID 28809488
2,6,7-trichloroquinoline-3-carboxylic acid
CID 22341156
4-bromo-2-chloro-5-methylbenzoyl chloride
CID 168975431
2-chloro-3-methylquinoline-6-sulfinic acid
CID 165454968
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412
2-chloro-4-fluoro-5-methylbenzoic acid;2-chloro-4-fluoro-5-methylbenzoyl chloride;oxalyl dichloride
CID 160658516
5-chloro-2,4-dimethylbenzoyl chloride
CID 82633624
ethyl (Z)-2-(2,7-dichloro-6-fluoroquinoline-3-carbonyl)-3-(dimethylamino)prop-2-enoate
CID 14726626
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
2-chloro-6,7-dimethylquinolin-3-amine
CID 114553740
1-(7-chloro-3-methylquinolin-6-yl)propan-1-one
CID 57319411
2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde
CID 116997865

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-3-methylquinoline-6-carbonyl chloride?
The IUPAC name of 2,7-dichloro-3-methylquinoline-6-carbonyl chloride (CID 156830699) is 2,7-dichloro-3-methylquinoline-6-carbonyl chloride.
What is the SMILES notation for 2,7-dichloro-3-methylquinoline-6-carbonyl chloride?
The canonical SMILES for 2,7-dichloro-3-methylquinoline-6-carbonyl chloride is Cc1cc2cc(C(=O)Cl)c(Cl)cc2nc1Cl.
What is the InChIKey of 2,7-dichloro-3-methylquinoline-6-carbonyl chloride?
The InChIKey is WXBAUPHDMSSMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO/c1-5-2-6-3-7(11(14)16)8(12)4-9(6)15-10(5)13/h2-4H,1H3.
What are the key properties of 2,7-dichloro-3-methylquinoline-6-carbonyl chloride?
2,7-dichloro-3-methylquinoline-6-carbonyl chloride has a molecular weight of 274.53 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-3-methylquinoline-6-carbonyl chloride is sourced from PubChem (CID 156830699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).