methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate

C8H9F2N3O2 — CID 134669150

IUPACmethyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)F)cc(N)nc1N
InChIInChI=1S/C8H9F2N3O2/c1-15-8(14)5-3(6(9)10)2-4(11)13-7(5)12/h2,6H,1H3,(H4,11,12,13)
InChIKeyDWUNLPJALFYEDB-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.97
Rot. Bonds2

About methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate

methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134669150) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134669150
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Namemethyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)F)cc(N)nc1N
InChIInChI=1S/C8H9F2N3O2/c1-15-8(14)5-3(6(9)10)2-4(11)13-7(5)12/h2,6H,1H3,(H4,11,12,13)
InChIKeyDWUNLPJALFYEDB-UHFFFAOYSA-N
XLogP0.97
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103649
methyl 2-amino-4-(difluoromethyl)-6-nitropyridine-3-carboxylate
CID 134663964
methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134676395
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
methyl 2-amino-5-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 130106593
methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130106595
methyl 6-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134673656
methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134671535
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106594
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669816

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate (CID 134669150) is methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(C(F)F)cc(N)nc1N.
What is the InChIKey of methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is DWUNLPJALFYEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-15-8(14)5-3(6(9)10)2-4(11)13-7(5)12/h2,6H,1H3,(H4,11,12,13).
What are the key properties of methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate?
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 217.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134669150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).