methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate

C8H8F2N2O2 — CID 130094864

IUPACmethyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(C(F)F)c1N
InChIInChI=1S/C8H8F2N2O2/c1-14-8(13)4-2-3-12-6(5(4)11)7(9)10/h2-3,7H,11H2,1H3
InChIKeyKNIIQWBIQIMIFN-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.39
Rot. Bonds2

About methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate

methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate (PubChem CID 130094864) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
PubChem CID130094864
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Namemethyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(C(F)F)c1N
InChIInChI=1S/C8H8F2N2O2/c1-14-8(13)4-2-3-12-6(5(4)11)7(9)10/h2-3,7H,11H2,1H3
InChIKeyKNIIQWBIQIMIFN-UHFFFAOYSA-N
XLogP1.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
methyl 4-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095251
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 134683429
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130104947
2-(difluoromethyl)pyridine-3-carboxylic acid;ethane;iodoform;methyl 2-(difluoromethyl)pyridine-3-carboxylate;molecular iodine
CID 159572524
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine
CID 145012145
2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 118854739
methyl 2-amino-3-carbamoylpyridine-4-carboxylate
CID 174835549
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130104324
ethane;methyl 2-amino-4-[4-(difluoromethyl)pyrimidin-2-yl]benzoate
CID 156890370

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate (CID 130094864) is methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate is COC(=O)c1ccnc(C(F)F)c1N.
What is the InChIKey of methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate?
The InChIKey is KNIIQWBIQIMIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-14-8(13)4-2-3-12-6(5(4)11)7(9)10/h2-3,7H,11H2,1H3.
What are the key properties of methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate?
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate has a molecular weight of 202.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 130094864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).