2,7-dichloro-3-(dichloromethyl)quinoline

C10H5Cl4N — CID 15142733

IUPAC2,7-dichloro-3-(dichloromethyl)quinoline
SMILESClc1ccc2cc(C(Cl)Cl)c(Cl)nc2c1
InChIInChI=1S/C10H5Cl4N/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,9H
InChIKeyHATXBQJMFITSFB-UHFFFAOYSA-N
MW280.97 g/mol
LogP5.02
Rot. Bonds1

About 2,7-dichloro-3-(dichloromethyl)quinoline

2,7-dichloro-3-(dichloromethyl)quinoline (PubChem CID 15142733) has the molecular formula C10H5Cl4N and a molecular weight of 280.97 g/mol. Its IUPAC name is 2,7-dichloro-3-(dichloromethyl)quinoline.

Molecular Properties

Compound Name2,7-dichloro-3-(dichloromethyl)quinoline
PubChem CID15142733
Molecular FormulaC10H5Cl4N
Molecular Weight280.97 g/mol
Exact Mass278.92
IUPAC Name2,7-dichloro-3-(dichloromethyl)quinoline
SMILESClc1ccc2cc(C(Cl)Cl)c(Cl)nc2c1
InChIInChI=1S/C10H5Cl4N/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,9H
InChIKeyHATXBQJMFITSFB-UHFFFAOYSA-N
XLogP5.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.97
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2-methyl-3-propan-2-ylquinoline
CID 140904277
2,7-dichloro-3-ethylquinoline
CID 39346010
3-bromo-7-chlorocinnoline
CID 53423850
2-(7-chlorocinnolin-3-yl)ethanamine
CID 143140000
7-chloro-2-methylquinolin-3-amine
CID 72942962
3-bromo-7-chloro-2-methylquinoline
CID 151670813
7-chlorocinnoline
CID 21449408
2-amino-2-(2-chloroquinolin-3-yl)ethanol
CID 116985247
6-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 14361563
(1S)-1-(2-chloroquinolin-3-yl)ethanamine
CID 130699485
3-bromo-7-chloro-2-ethylquinoline
CID 123560307
(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine
CID 171234837

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-3-(dichloromethyl)quinoline?
The IUPAC name of 2,7-dichloro-3-(dichloromethyl)quinoline (CID 15142733) is 2,7-dichloro-3-(dichloromethyl)quinoline.
What is the SMILES notation for 2,7-dichloro-3-(dichloromethyl)quinoline?
The canonical SMILES for 2,7-dichloro-3-(dichloromethyl)quinoline is Clc1ccc2cc(C(Cl)Cl)c(Cl)nc2c1.
What is the InChIKey of 2,7-dichloro-3-(dichloromethyl)quinoline?
The InChIKey is HATXBQJMFITSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4N/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,9H.
What are the key properties of 2,7-dichloro-3-(dichloromethyl)quinoline?
2,7-dichloro-3-(dichloromethyl)quinoline has a molecular weight of 280.97 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-3-(dichloromethyl)quinoline is sourced from PubChem (CID 15142733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).