2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile

C13H9Cl2N3 — CID 133094450

IUPAC2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2cccc(Cl)c2Cl)ccc1N
InChIInChI=1S/C13H9Cl2N3/c14-9-3-1-2-8(13(9)15)11-5-4-10(17)12(18-11)6-7-16/h1-5H,6,17H2
InChIKeyGOIGJINYRLOCPY-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.70
Rot. Bonds2

About 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile

2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 133094450) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
PubChem CID133094450
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2cccc(Cl)c2Cl)ccc1N
InChIInChI=1S/C13H9Cl2N3/c14-9-3-1-2-8(13(9)15)11-5-4-10(17)12(18-11)6-7-16/h1-5H,6,17H2
InChIKeyGOIGJINYRLOCPY-UHFFFAOYSA-N
XLogP3.70
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094500
2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094483
2-(3-amino-6-bromo-2-pyridinyl)acetonitrile
CID 131117863
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 125129561
2-amino-4-(2,3-dichlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
CID 3391786
4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine
CID 158757005
2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
CID 166933390
6-(2,3-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852436
5-(2,3-dichlorophenyl)-6-ethylpyridin-2-amine
CID 139370092
4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 39796773
2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870387

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile (CID 133094450) is 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile is N#CCc1nc(-c2cccc(Cl)c2Cl)ccc1N.
What is the InChIKey of 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is GOIGJINYRLOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-9-3-1-2-8(13(9)15)11-5-4-10(17)12(18-11)6-7-16/h1-5H,6,17H2.
What are the key properties of 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile?
2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile has a molecular weight of 278.14 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).