5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile

C9H9F2N3O — CID 130077933

IUPAC5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C(F)F)c(CN)cc1C#N
InChIInChI=1S/C9H9F2N3O/c1-15-9-6(4-13)2-5(3-12)7(14-9)8(10)11/h2,8H,3,12H2,1H3
InChIKeyPQOAOEFLXWWLBU-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.36
Rot. Bonds3

About 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile

5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile (PubChem CID 130077933) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
PubChem CID130077933
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C(F)F)c(CN)cc1C#N
InChIInChI=1S/C9H9F2N3O/c1-15-9-6(4-13)2-5(3-12)7(14-9)8(10)11/h2,8H,3,12H2,1H3
InChIKeyPQOAOEFLXWWLBU-UHFFFAOYSA-N
XLogP1.36
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130071015
[5-bromo-2-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068716
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134686538
4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile
CID 118851689
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
CID 133100302
6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile
CID 130078176
5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 131459192
5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078112
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134682962

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile (CID 130077933) is 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile is COc1nc(C(F)F)c(CN)cc1C#N.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is PQOAOEFLXWWLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-15-9-6(4-13)2-5(3-12)7(14-9)8(10)11/h2,8H,3,12H2,1H3.
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile has a molecular weight of 213.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130077933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).