methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate

C9H10F2N2O3 — CID 134671357

IUPACmethyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(N)c(C(F)F)c1OC
InChIInChI=1S/C9H10F2N2O3/c1-15-7-5(8(10)11)4(12)3-13-6(7)9(14)16-2/h3,8H,12H2,1-2H3
InChIKeyVKTAIDQPYITLPH-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.40
Rot. Bonds3

About methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate

methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate (PubChem CID 134671357) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
PubChem CID134671357
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Namemethyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(N)c(C(F)F)c1OC
InChIInChI=1S/C9H10F2N2O3/c1-15-7-5(8(10)11)4(12)3-13-6(7)9(14)16-2/h3,8H,12H2,1-2H3
InChIKeyVKTAIDQPYITLPH-UHFFFAOYSA-N
XLogP1.40
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
CID 133105353
methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 130102197
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469
methyl 4-amino-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134685827
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
CID 118806375
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
CID 133099916
methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102191
methyl 3-(difluoromethyl)-4-iodo-5-methylpyridine-2-carboxylate
CID 130086290

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate (CID 134671357) is methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate is COC(=O)c1ncc(N)c(C(F)F)c1OC.
What is the InChIKey of methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
The InChIKey is VKTAIDQPYITLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-15-7-5(8(10)11)4(12)3-13-6(7)9(14)16-2/h3,8H,12H2,1-2H3.
What are the key properties of methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate?
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate has a molecular weight of 232.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 134671357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).