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

C8H6ClF2N3 — CID 118825834

IUPAC2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(Cl)nc1CN
InChIInChI=1S/C8H6ClF2N3/c9-7-5(8(10)11)1-4(2-12)6(3-13)14-7/h1,8H,3,13H2
InChIKeyFWVAENIVPGZBGY-UHFFFAOYSA-N
MW217.61 g/mol
LogP2.00
Rot. Bonds2

About 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile

2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 118825834) has the molecular formula C8H6ClF2N3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID118825834
Molecular FormulaC8H6ClF2N3
Molecular Weight217.61 g/mol
Exact Mass217.02
IUPAC Name2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(Cl)nc1CN
InChIInChI=1S/C8H6ClF2N3/c9-7-5(8(10)11)1-4(2-12)6(3-13)14-7/h1,8H,3,13H2
InChIKeyFWVAENIVPGZBGY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 118831350
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
2-[2-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075151
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130103406
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile (CID 118825834) is 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1cc(C(F)F)c(Cl)nc1CN.
What is the InChIKey of 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FWVAENIVPGZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3/c9-7-5(8(10)11)1-4(2-12)6(3-13)14-7/h1,8H,3,13H2.
What are the key properties of 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile?
2-(aminomethyl)-6-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 2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118825834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).