2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile

C12H6Cl3N3 — CID 119005725

IUPAC2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H6Cl3N3/c13-7-3-8(11(15)9(14)4-7)10-6(5-16)1-2-18-12(10)17/h1-4H,(H2,17,18)
InChIKeyYLXBCWVLKIUIHN-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.16
Rot. Bonds1

About 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile

2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile (PubChem CID 119005725) has the molecular formula C12H6Cl3N3 and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile
PubChem CID119005725
Molecular FormulaC12H6Cl3N3
Molecular Weight298.56 g/mol
Exact Mass296.96
IUPAC Name2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H6Cl3N3/c13-7-3-8(11(15)9(14)4-7)10-6(5-16)1-2-18-12(10)17/h1-4H,(H2,17,18)
InChIKeyYLXBCWVLKIUIHN-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

2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile
CID 119021726
3-chloro-2-(2,3,5-trichlorophenyl)benzonitrile
CID 134630536
4-(2,3,5-trichlorophenyl)pyridin-2-amine
CID 119008839
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2,3,5-trichlorobenzonitrile
CID 19800061
2-amino-3-[2-(difluoromethoxy)phenyl]pyridine-4-carbonitrile
CID 118094433
5-amino-6-(2,3,5-trichlorophenyl)pyridine-3-carbonitrile
CID 134637971
2-amino-3-methylpyridine-4-carbonitrile
CID 119015865
2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 134637480
4-amino-2-(5-chloro-2-fluorophenyl)pyrimidine-5-carbonitrile
CID 116865141
2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine
CID 134636944
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile (CID 119005725) is 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile is N#Cc1ccnc(N)c1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile?
The InChIKey is YLXBCWVLKIUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3/c13-7-3-8(11(15)9(14)4-7)10-6(5-16)1-2-18-12(10)17/h1-4H,(H2,17,18).
What are the key properties of 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile?
2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-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 2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 119005725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).