methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate

C10H11F2NO4 — CID 134669232

IUPACmethyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(OC)c(OC)n1
InChIInChI=1S/C10H11F2NO4/c1-15-7-5(8(11)12)4-6(10(14)17-3)13-9(7)16-2/h4,8H,1-3H3
InChIKeyLJLRDANMDXUZHC-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.82
Rot. Bonds4

About methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate

methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate (PubChem CID 134669232) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
PubChem CID134669232
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Namemethyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(OC)c(OC)n1
InChIInChI=1S/C10H11F2NO4/c1-15-7-5(8(11)12)4-6(10(14)17-3)13-9(7)16-2/h4,8H,1-3H3
InChIKeyLJLRDANMDXUZHC-UHFFFAOYSA-N
XLogP1.82
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
CID 118828805
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride
CID 118824318
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133099003
methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671057
ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134685121
methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133099603
methyl 2,3,6-trimethoxypyridine-4-carboxylate
CID 130406819

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate (CID 134669232) is methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate is COC(=O)c1cc(C(F)F)c(OC)c(OC)n1.
What is the InChIKey of methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate?
The InChIKey is LJLRDANMDXUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c1-15-7-5(8(11)12)4-6(10(14)17-3)13-9(7)16-2/h4,8H,1-3H3.
What are the key properties of methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate?
methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate has a molecular weight of 247.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate is sourced from PubChem (CID 134669232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).