5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine

C17H8Cl6N2 — CID 134629217

IUPAC5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine
SMILESNc1cnc(-c2ccc(Cl)c(Cl)c2Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C17H8Cl6N2/c18-11-3-1-8(13(20)15(11)22)10-5-7(24)6-25-17(10)9-2-4-12(19)16(23)14(9)21/h1-6H,24H2
InChIKeyDRVMMLVDWBDQOZ-UHFFFAOYSA-N
MW452.98 g/mol
LogP7.92
Rot. Bonds2

About 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine

5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine (PubChem CID 134629217) has the molecular formula C17H8Cl6N2 and a molecular weight of 452.98 g/mol. Its IUPAC name is 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine
PubChem CID134629217
Molecular FormulaC17H8Cl6N2
Molecular Weight452.98 g/mol
Exact Mass449.88
IUPAC Name5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine
SMILESNc1cnc(-c2ccc(Cl)c(Cl)c2Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C17H8Cl6N2/c18-11-3-1-8(13(20)15(11)22)10-5-7(24)6-25-17(10)9-2-4-12(19)16(23)14(9)21/h1-6H,24H2
InChIKeyDRVMMLVDWBDQOZ-UHFFFAOYSA-N
XLogP7.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.98
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5,6-bis(2,5-dichlorophenyl)pyridin-3-amine
CID 133087009
5-chloro-2-(2,3,4-trichlorophenyl)pyridin-3-amine
CID 134624210
5,6-bis(4-chlorophenyl)pyridin-3-amine
CID 174766638
3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine
CID 119017203
2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid
CID 119011318
4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
CID 133090114
2-chloro-3-(2,3,4-trichlorophenyl)aniline
CID 134624040
6-fluoro-4-(2,3,4-trichlorophenyl)pyridin-3-ol
CID 133092229
2-(2,3,4-trichlorophenyl)pyridin-3-ol
CID 133092358
4-(5-amino-3-chloro-2-pyridinyl)phenol
CID 136758122
2-chloro-6-(2,3,4-trichlorophenyl)aniline
CID 134618448
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine?
The IUPAC name of 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine (CID 134629217) is 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine.
What is the SMILES notation for 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine?
The canonical SMILES for 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine is Nc1cnc(-c2ccc(Cl)c(Cl)c2Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine?
The InChIKey is DRVMMLVDWBDQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl6N2/c18-11-3-1-8(13(20)15(11)22)10-5-7(24)6-25-17(10)9-2-4-12(19)16(23)14(9)21/h1-6H,24H2.
What are the key properties of 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine?
5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine has a molecular weight of 452.98 g/mol, XLogP of 7.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine is sourced from PubChem (CID 134629217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).