2-(3-amino-4-chloro-2-pyridinyl)acetonitrile

C7H6ClN3 — CID 131050925

IUPAC2-(3-amino-4-chloro-2-pyridinyl)acetonitrile
SMILESN#CCc1nccc(Cl)c1N
InChIInChI=1S/C7H6ClN3/c8-5-2-4-11-6(1-3-9)7(5)10/h2,4H,1,10H2
InChIKeyPZLLVWAVTMBTPE-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.38
Rot. Bonds1

About 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile

2-(3-amino-4-chloro-2-pyridinyl)acetonitrile (PubChem CID 131050925) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-4-chloro-2-pyridinyl)acetonitrile
PubChem CID131050925
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name2-(3-amino-4-chloro-2-pyridinyl)acetonitrile
SMILESN#CCc1nccc(Cl)c1N
InChIInChI=1S/C7H6ClN3/c8-5-2-4-11-6(1-3-9)7(5)10/h2,4H,1,10H2
InChIKeyPZLLVWAVTMBTPE-UHFFFAOYSA-N
XLogP1.38
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloropyridazin-3-yl)acetonitrile
CID 54339606
2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile
CID 130893900
2-[3-amino-2-(3,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134624002
2-(4,6-dichloropyridazin-3-yl)acetonitrile
CID 59851337
2-(4-bromo-3-hydroxy-2-pyridinyl)acetonitrile
CID 130748855
2-(2-amino-4-pyridinyl)acetonitrile
CID 45382143
4-chloro-2-propan-2-ylpyridin-3-amine
CID 134168279
2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 118847553
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544
2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094450
2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094542
2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
CID 84764251

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile (CID 131050925) is 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile is N#CCc1nccc(Cl)c1N.
What is the InChIKey of 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile?
The InChIKey is PZLLVWAVTMBTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c8-5-2-4-11-6(1-3-9)7(5)10/h2,4H,1,10H2.
What are the key properties of 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile?
2-(3-amino-4-chloro-2-pyridinyl)acetonitrile has a molecular weight of 167.60 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-chloro-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131050925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).