2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine

C8H7Cl2F2NO — CID 119017981

IUPAC2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine
SMILESCOc1cc(C(F)F)c(CCl)c(Cl)n1
InChIInChI=1S/C8H7Cl2F2NO/c1-14-6-2-4(8(11)12)5(3-9)7(10)13-6/h2,8H,3H2,1H3
InChIKeyFSVBFYRPUOTXHA-UHFFFAOYSA-N
MW242.05 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine

2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine (PubChem CID 119017981) has the molecular formula C8H7Cl2F2NO and a molecular weight of 242.05 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine
PubChem CID119017981
Molecular FormulaC8H7Cl2F2NO
Molecular Weight242.05 g/mol
Exact Mass240.99
IUPAC Name2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine
SMILESCOc1cc(C(F)F)c(CCl)c(Cl)n1
InChIInChI=1S/C8H7Cl2F2NO/c1-14-6-2-4(8(11)12)5(3-9)7(10)13-6/h2,8H,3H2,1H3
InChIKeyFSVBFYRPUOTXHA-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 53.42
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

3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
CID 130100952
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methylpyridine
CID 119013902
2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine
CID 130102536
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 133099017
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
[3-chloro-4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118836942
2-(bromomethyl)-3-chloro-4-(difluoromethyl)-6-methoxypyridine
CID 130073739
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 133084898
2-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903
2-[2-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 119020607
4-(difluoromethyl)-2,6-dimethoxy-3-methylpyridine
CID 118835593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine?
The IUPAC name of 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine (CID 119017981) is 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine.
What is the SMILES notation for 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine?
The canonical SMILES for 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine is COc1cc(C(F)F)c(CCl)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine?
The InChIKey is FSVBFYRPUOTXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2NO/c1-14-6-2-4(8(11)12)5(3-9)7(10)13-6/h2,8H,3H2,1H3.
What are the key properties of 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine?
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine has a molecular weight of 242.05 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine is sourced from PubChem (CID 119017981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).