5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile

C12H6Cl3N3 — CID 134637003

IUPAC5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(N)c1
InChIInChI=1S/C12H6Cl3N3/c13-7-1-2-8(14)11(15)10(7)12-9(17)3-6(4-16)5-18-12/h1-3,5H,17H2
InChIKeySGSMFDGXVPBZRU-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.16
Rot. Bonds1

About 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile

5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile (PubChem CID 134637003) has the molecular formula C12H6Cl3N3 and a molecular weight of 298.56 g/mol. Its IUPAC name is 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
PubChem CID134637003
Molecular FormulaC12H6Cl3N3
Molecular Weight298.56 g/mol
Exact Mass296.96
IUPAC Name5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(N)c1
InChIInChI=1S/C12H6Cl3N3/c13-7-1-2-8(14)11(15)10(7)12-9(17)3-6(4-16)5-18-12/h1-3,5H,17H2
InChIKeySGSMFDGXVPBZRU-UHFFFAOYSA-N
XLogP4.16
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(2,3,5-trichlorophenyl)pyridine-3-carbonitrile
CID 134637971
5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile
CID 133095960
5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470786
5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470794
5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637033
5-chloro-6-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 133092526
5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469705
2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094378
8-aminoquinoline-3-carbonitrile
CID 131425885
5-chloro-2-(2,3,4-trichlorophenyl)pyridin-3-amine
CID 134624210
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
2-[2-amino-5-(2,3,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119022137

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile (CID 134637003) is 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile is N#Cc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(N)c1.
What is the InChIKey of 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is SGSMFDGXVPBZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3/c13-7-1-2-8(14)11(15)10(7)12-9(17)3-6(4-16)5-18-12/h1-3,5H,17H2.
What are the key properties of 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile?
5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 298.56 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 134637003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).