methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride

C17H21FN4O4 — CID 157195099

IUPACmethane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride
SMILESC.COC(=O)c1ccnc(C#N)c1.COC(=O)c1ccnc(CN)c1.F
InChIInChI=1S/C8H10N2O2.C8H6N2O2.CH4.FH/c2*1-12-8(11)6-2-3-10-7(4-6)5-9;;/h2-4H,5,9H2,1H3;2-4H,1H3;1H4;1H
InChIKeyAQDOZUFCAARCEZ-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.86
Rot. Bonds3

About methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride

methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride (PubChem CID 157195099) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride.

Molecular Properties

Compound Namemethane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride
PubChem CID157195099
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Namemethane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride
SMILESC.COC(=O)c1ccnc(C#N)c1.COC(=O)c1ccnc(CN)c1.F
InChIInChI=1S/C8H10N2O2.C8H6N2O2.CH4.FH/c2*1-12-8(11)6-2-3-10-7(4-6)5-9;;/h2-4H,5,9H2,1H3;2-4H,1H3;1H4;1H
InChIKeyAQDOZUFCAARCEZ-UHFFFAOYSA-N
XLogP1.86
TPSA128.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
4-[4-(aminomethyl)-3,5-dimethylpyrazole-1-carbonyl]pyridine-2-carbonitrile
CID 112528470
tert-butyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325005
2,2-dimethylpropanoyl 2-cyanopyridine-4-carboxylate
CID 163217228
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
CID 116601798
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795
methyl 2-(2-phenylethynyl)pyridine-4-carboxylate
CID 22097571
methyl 2-(methylsulfonyloxymethyl)pyridine-4-carboxylate
CID 86661353
methyl 4-[(2-cyanopyridine-4-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 166405193
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
4-[2-(tert-butylamino)acetyl]pyridine-2-carbonitrile
CID 170645061

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride?
The IUPAC name of methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride (CID 157195099) is methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride.
What is the SMILES notation for methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride?
The canonical SMILES for methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride is C.COC(=O)c1ccnc(C#N)c1.COC(=O)c1ccnc(CN)c1.F.
What is the InChIKey of methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride?
The InChIKey is AQDOZUFCAARCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C8H6N2O2.CH4.FH/c2*1-12-8(11)6-2-3-10-7(4-6)5-9;;/h2-4H,5,9H2,1H3;2-4H,1H3;1H4;1H.
What are the key properties of methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride?
methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride has a molecular weight of 364.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-cyanopyridine-4-carboxylate;hydrofluoride is sourced from PubChem (CID 157195099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).