2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile

C9H9F2N3 — CID 118825663

IUPAC2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(CN)c(C#N)c1C(F)F
InChIInChI=1S/C9H9F2N3/c1-5-4-14-7(3-13)6(2-12)8(5)9(10)11/h4,9H,3,13H2,1H3
InChIKeyRLFTZGJYMXDKSX-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.66
Rot. Bonds2

About 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile

2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile (PubChem CID 118825663) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile
PubChem CID118825663
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(CN)c(C#N)c1C(F)F
InChIInChI=1S/C9H9F2N3/c1-5-4-14-7(3-13)6(2-12)8(5)9(10)11/h4,9H,3,13H2,1H3
InChIKeyRLFTZGJYMXDKSX-UHFFFAOYSA-N
XLogP1.66
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118831356
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 118847980
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091
ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098516
2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130078210
3-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078189
2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile (CID 118825663) is 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile is Cc1cnc(CN)c(C#N)c1C(F)F.
What is the InChIKey of 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is RLFTZGJYMXDKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-5-4-14-7(3-13)6(2-12)8(5)9(10)11/h4,9H,3,13H2,1H3.
What are the key properties of 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile?
2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 197.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 118825663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).