2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile

C13H9Cl2N3 — CID 133094378

IUPAC2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(-c2ccc(Cl)c(Cl)c2)c(N)c1
InChIInChI=1S/C13H9Cl2N3/c14-10-2-1-9(6-11(10)15)13-12(17)5-8(3-4-16)7-18-13/h1-2,5-7H,3,17H2
InChIKeyMDUMCCHOBNXPAM-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.70
Rot. Bonds2

About 2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile

2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 133094378) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
PubChem CID133094378
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(-c2ccc(Cl)c(Cl)c2)c(N)c1
InChIInChI=1S/C13H9Cl2N3/c14-10-2-1-9(6-11(10)15)13-12(17)5-8(3-4-16)7-18-13/h1-2,5-7H,3,17H2
InChIKeyMDUMCCHOBNXPAM-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-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094439
2-[5-amino-6-(3,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094408
2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094110
5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile
CID 133095973
2-[6-amino-5-(2,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119005753
2-(4-amino-3-chlorophenyl)acetonitrile
CID 18621878
2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094362
2-[6-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134636222
5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134637003
2-[4-(3,4-dichlorophenyl)pyrimidin-2-yl]acetonitrile
CID 116901038
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 133094368
2-[2,6-bis(3,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637823

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile (CID 133094378) is 2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(-c2ccc(Cl)c(Cl)c2)c(N)c1.
What is the InChIKey of 2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is MDUMCCHOBNXPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-10-2-1-9(6-11(10)15)13-12(17)5-8(3-4-16)7-18-13/h1-2,5-7H,3,17H2.
What are the key properties of 2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
2-[5-amino-6-(3,4-dichlorophenyl)-3-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-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133094378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).