2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine

C11H7Cl4NO — CID 56622235

IUPAC2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine
SMILESClc1cc(C(Cl)(Cl)Cl)cc(Cc2ccco2)n1
InChIInChI=1S/C11H7Cl4NO/c12-10-5-7(11(13,14)15)4-8(16-10)6-9-2-1-3-17-9/h1-5H,6H2
InChIKeyWMHDNGGJGFRIQI-UHFFFAOYSA-N
MW311.00 g/mol
LogP4.75
Rot. Bonds2

About 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine

2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine (PubChem CID 56622235) has the molecular formula C11H7Cl4NO and a molecular weight of 311.00 g/mol. Its IUPAC name is 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine
PubChem CID56622235
Molecular FormulaC11H7Cl4NO
Molecular Weight311.00 g/mol
Exact Mass308.93
IUPAC Name2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine
SMILESClc1cc(C(Cl)(Cl)Cl)cc(Cc2ccco2)n1
InChIInChI=1S/C11H7Cl4NO/c12-10-5-7(11(13,14)15)4-8(16-10)6-9-2-1-3-17-9/h1-5H,6H2
InChIKeyWMHDNGGJGFRIQI-UHFFFAOYSA-N
XLogP4.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.00
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-(furan-2-ylmethyl)-2,3-dimethylpyrazine
CID 12558437
2-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117137864
5-(chloromethyl)-3-(furan-2-ylmethyl)-1,2,4-oxadiazole
CID 71364887
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
2-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-6-ol
CID 117130980
6-bromo-2-(furan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117130982
8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117147341
5-(furan-2-ylmethyl)oxadiazole
CID 174840733
[2-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117130971
6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767375
[2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153712
2-chloro-6-(furan-2-ylmethoxy)pyridine
CID 63588575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine?
The IUPAC name of 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine (CID 56622235) is 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine is Clc1cc(C(Cl)(Cl)Cl)cc(Cc2ccco2)n1.
What is the InChIKey of 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine?
The InChIKey is WMHDNGGJGFRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl4NO/c12-10-5-7(11(13,14)15)4-8(16-10)6-9-2-1-3-17-9/h1-5H,6H2.
What are the key properties of 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine?
2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine has a molecular weight of 311.00 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine is sourced from PubChem (CID 56622235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).