methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate

C8H6ClF2NO2 — CID 124706094

IUPACmethyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C(F)F)cn1
InChIInChI=1S/C8H6ClF2NO2/c1-14-8(13)6-2-5(9)4(3-12-6)7(10)11/h2-3,7H,1H3
InChIKeyRBPFVOCOCVHQNU-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.46
Rot. Bonds2

About methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate

methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 124706094) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
PubChem CID124706094
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Namemethyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C(F)F)cn1
InChIInChI=1S/C8H6ClF2NO2/c1-14-8(13)6-2-5(9)4(3-12-6)7(10)11/h2-3,7H,1H3
InChIKeyRBPFVOCOCVHQNU-UHFFFAOYSA-N
XLogP2.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-5-nitropyridine-2-carboxylate
CID 130849623
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578
methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 130108323
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
4-chloro-5-(difluoromethyl)-2-methoxypyridine
CID 118822541
methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate
CID 130210234
methyl 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carboxylate
CID 134677721
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 4-amino-3-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102966
methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 130073412
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
methyl 4-(1-cyclopropylpyrazol-4-yl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 147197089

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate (CID 124706094) is methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate is COC(=O)c1cc(Cl)c(C(F)F)cn1.
What is the InChIKey of methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is RBPFVOCOCVHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-14-8(13)6-2-5(9)4(3-12-6)7(10)11/h2-3,7H,1H3.
What are the key properties of methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate?
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate has a molecular weight of 221.59 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 124706094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).