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

C8H6ClF2N3 — CID 118825547

IUPAC6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CN)c(C(F)F)c1Cl
InChIInChI=1S/C8H6ClF2N3/c9-7-4(1-12)3-14-5(2-13)6(7)8(10)11/h3,8H,2,13H2
InChIKeyLOHPBOPIWNEIKS-UHFFFAOYSA-N
MW217.61 g/mol
LogP2.00
Rot. Bonds2

About 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile

6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 118825547) has the molecular formula C8H6ClF2N3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID118825547
Molecular FormulaC8H6ClF2N3
Molecular Weight217.61 g/mol
Exact Mass217.02
IUPAC Name6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CN)c(C(F)F)c1Cl
InChIInChI=1S/C8H6ClF2N3/c9-7-4(1-12)3-14-5(2-13)6(7)8(10)11/h3,8H,2,13H2
InChIKeyLOHPBOPIWNEIKS-UHFFFAOYSA-N
XLogP2.00
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 118847980
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118850677
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
6-(aminomethyl)-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 118825681
[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
CID 118808483
6-bromo-5-chloro-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130107758
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071100
2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118831356
2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 118825663
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130079114
2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130074972
ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671019

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile (CID 118825547) is 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(CN)c(C(F)F)c1Cl.
What is the InChIKey of 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is LOHPBOPIWNEIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3/c9-7-4(1-12)3-14-5(2-13)6(7)8(10)11/h3,8H,2,13H2.
What are the key properties of 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 217.61 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118825547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).