3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile

C8H6ClF2N3 — CID 130071095

IUPAC3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(Cl)c1CN
InChIInChI=1S/C8H6ClF2N3/c9-7-4(1-12)6(2-13)14-3-5(7)8(10)11/h3,8H,1,12H2
InChIKeyZROSBHVBURMTIR-UHFFFAOYSA-N
MW217.61 g/mol
LogP2.00
Rot. Bonds2

About 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile

3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130071095) has the molecular formula C8H6ClF2N3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130071095
Molecular FormulaC8H6ClF2N3
Molecular Weight217.61 g/mol
Exact Mass217.02
IUPAC Name3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(Cl)c1CN
InChIInChI=1S/C8H6ClF2N3/c9-7-4(1-12)6(2-13)14-3-5(7)8(10)11/h3,8H,1,12H2
InChIKeyZROSBHVBURMTIR-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

3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107332
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071100
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919
4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118811799
3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
CID 130079090
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
3-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078189
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842
methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134674118

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile (CID 130071095) is 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)F)c(Cl)c1CN.
What is the InChIKey of 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is ZROSBHVBURMTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3/c9-7-4(1-12)6(2-13)14-3-5(7)8(10)11/h3,8H,1,12H2.
What are the key properties of 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile?
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-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 3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130071095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).