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

C9H9F2N3O — CID 118851689

IUPAC4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile
SMILESCOc1cc(CN)c(C#N)c(C(F)F)n1
InChIInChI=1S/C9H9F2N3O/c1-15-7-2-5(3-12)6(4-13)8(14-7)9(10)11/h2,9H,3,12H2,1H3
InChIKeyJXSWJVVKINWYIA-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.36
Rot. Bonds3

About 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile

4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile (PubChem CID 118851689) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile
PubChem CID118851689
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile
SMILESCOc1cc(CN)c(C#N)c(C(F)F)n1
InChIInChI=1S/C9H9F2N3O/c1-15-7-2-5(3-12)6(4-13)8(14-7)9(10)11/h2,9H,3,12H2,1H3
InChIKeyJXSWJVVKINWYIA-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

5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
2-(difluoromethyl)-3-iodo-6-methoxypyridin-4-amine
CID 118840612
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid
CID 134676666
[4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118820122
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068793
2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile
CID 130078321
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
methyl 2-[3-cyano-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134686464

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile (CID 118851689) is 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile is COc1cc(CN)c(C#N)c(C(F)F)n1.
What is the InChIKey of 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile?
The InChIKey is JXSWJVVKINWYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-15-7-2-5(3-12)6(4-13)8(14-7)9(10)11/h2,9H,3,12H2,1H3.
What are the key properties of 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile?
4-(aminomethyl)-2-(difluoromethyl)-6-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 4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 118851689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).