methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate

C9H11F2N3O2 — CID 134671535

IUPACmethyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(CN)cc(N)nc1C(F)F
InChIInChI=1S/C9H11F2N3O2/c1-16-9(15)6-4(3-12)2-5(13)14-7(6)8(10)11/h2,8H,3,12H2,1H3,(H2,13,14)
InChIKeyFDKOKCAYPJSUIX-UHFFFAOYSA-N
MW231.20 g/mol
LogP0.85
Rot. Bonds3

About methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate

methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134671535) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134671535
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC Namemethyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(CN)cc(N)nc1C(F)F
InChIInChI=1S/C9H11F2N3O2/c1-16-9(15)6-4(3-12)2-5(13)14-7(6)8(10)11/h2,8H,3,12H2,1H3,(H2,13,14)
InChIKeyFDKOKCAYPJSUIX-UHFFFAOYSA-N
XLogP0.85
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(aminomethyl)-6-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 134675417
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 133107066
ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134683777
ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
CID 134684313
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
methyl 5-(aminomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100242
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
methyl 6-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134673656
methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
CID 130086278
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate (CID 134671535) is methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(CN)cc(N)nc1C(F)F.
What is the InChIKey of methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is FDKOKCAYPJSUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c1-16-9(15)6-4(3-12)2-5(13)14-7(6)8(10)11/h2,8H,3,12H2,1H3,(H2,13,14).
What are the key properties of methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate?
methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 231.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134671535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).