methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate

C9H9F2NO3 — CID 170909839

IUPACmethyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncc1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-14-7-3-5(9(13)15-2)6(4-12-7)8(10)11/h3-4,8H,1-2H3
InChIKeyJLBWSMSCMNXURN-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.81
Rot. Bonds3

About methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate

methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate (PubChem CID 170909839) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
PubChem CID170909839
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Namemethyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncc1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-14-7-3-5(9(13)15-2)6(4-12-7)8(10)11/h3-4,8H,1-2H3
InChIKeyJLBWSMSCMNXURN-UHFFFAOYSA-N
XLogP1.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134664339
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
methyl 2-(difluoromethyl)-3-hydroxy-6-methoxypyridine-4-carboxylate
CID 133103210
methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate
CID 138609183
4-chloro-5-(difluoromethyl)-2-methoxypyridine
CID 118822541
methyl 2-ethoxy-5-fluoropyridine-4-carboxylate
CID 118989859
methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636206
methyl 2-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634404
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 124706094

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate (CID 170909839) is methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate is COC(=O)c1cc(OC)ncc1C(F)F.
What is the InChIKey of methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate?
The InChIKey is JLBWSMSCMNXURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-14-7-3-5(9(13)15-2)6(4-12-7)8(10)11/h3-4,8H,1-2H3.
What are the key properties of methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate?
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate has a molecular weight of 217.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 170909839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).