methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate

C9H7Cl2F2NO2 — CID 130075735

IUPACmethyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)cc(Cl)c1CCl
InChIInChI=1S/C9H7Cl2F2NO2/c1-16-9(15)7-4(3-10)5(11)2-6(14-7)8(12)13/h2,8H,3H2,1H3
InChIKeyWABXSXUBCOYQQT-UHFFFAOYSA-N
MW270.06 g/mol
LogP3.20
Rot. Bonds3

About methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate

methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 130075735) has the molecular formula C9H7Cl2F2NO2 and a molecular weight of 270.06 g/mol. Its IUPAC name is methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
PubChem CID130075735
Molecular FormulaC9H7Cl2F2NO2
Molecular Weight270.06 g/mol
Exact Mass268.98
IUPAC Namemethyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)cc(Cl)c1CCl
InChIInChI=1S/C9H7Cl2F2NO2/c1-16-9(15)7-4(3-10)5(11)2-6(14-7)8(12)13/h2,8H,3H2,1H3
InChIKeyWABXSXUBCOYQQT-UHFFFAOYSA-N
XLogP3.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668204
ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103828
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 130069488
methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130104973
methyl 4-(bromomethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130084975
methyl 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxylate
CID 133102179
methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071382
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118822488
methyl 3-bromo-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylate
CID 130070767
methyl 6-bromo-4-chloro-3-(difluoromethyl)pyridine-2-carboxylate
CID 130108301

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate (CID 130075735) is methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate is COC(=O)c1nc(C(F)F)cc(Cl)c1CCl.
What is the InChIKey of methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is WABXSXUBCOYQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F2NO2/c1-16-9(15)7-4(3-10)5(11)2-6(14-7)8(12)13/h2,8H,3H2,1H3.
What are the key properties of methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate?
methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate has a molecular weight of 270.06 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 130075735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).