4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

C8H7F2N3 — CID 130095910

IUPAC4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(C(F)F)c1CN
InChIInChI=1S/C8H7F2N3/c9-8(10)7-4-13-3-5(1-11)6(7)2-12/h3-4,8H,2,12H2
InChIKeyIBWCANBQJUJRQV-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.35
Rot. Bonds2

About 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130095910) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130095910
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(C(F)F)c1CN
InChIInChI=1S/C8H7F2N3/c9-8(10)7-4-13-3-5(1-11)6(7)2-12/h3-4,8H,2,12H2
InChIKeyIBWCANBQJUJRQV-UHFFFAOYSA-N
XLogP1.35
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130095790
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 130098054
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
3-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078189
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130095597
3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107332
methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134673298
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825834
3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078191

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (CID 130095910) is 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1cncc(C(F)F)c1CN.
What is the InChIKey of 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IBWCANBQJUJRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c9-8(10)7-4-13-3-5(1-11)6(7)2-12/h3-4,8H,2,12H2.
What are the key properties of 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 183.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130095910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).