3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine

C11H6Cl3IN2 — CID 119017203

IUPAC3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(Cl)c(Cl)c2Cl)cc1I
InChIInChI=1S/C11H6Cl3IN2/c12-7-2-1-6(9(13)10(7)14)5-3-8(15)11(16)17-4-5/h1-4H,(H2,16,17)
InChIKeyWTNAQLOHRGRLLG-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.90
Rot. Bonds1

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

3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine (PubChem CID 119017203) has the molecular formula C11H6Cl3IN2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine
PubChem CID119017203
Molecular FormulaC11H6Cl3IN2
Molecular Weight399.45 g/mol
Exact Mass397.86
IUPAC Name3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(Cl)c(Cl)c2Cl)cc1I
InChIInChI=1S/C11H6Cl3IN2/c12-7-2-1-6(9(13)10(7)14)5-3-8(15)11(16)17-4-5/h1-4H,(H2,16,17)
InChIKeyWTNAQLOHRGRLLG-UHFFFAOYSA-N
XLogP4.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636116
3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 133086481
4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one
CID 174358567
5-chloro-2-(2,3,4-trichlorophenyl)pyridin-3-amine
CID 134624210
5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine
CID 134629217
2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 133090375
3-chloro-5-(2,4-difluorophenyl)pyridin-2-amine
CID 168665656
4-iodo-3-(2,3,4-trichlorophenyl)pyridine
CID 134636344
5-(2,3-dichlorophenyl)pyrimidin-2-amine
CID 79022346
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987
5-(2,3-dichlorophenyl)-2-methoxypyridin-3-amine
CID 133087146
2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66295881

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine?
The IUPAC name of 3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine (CID 119017203) is 3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine?
The canonical SMILES for 3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine is Nc1ncc(-c2ccc(Cl)c(Cl)c2Cl)cc1I.
What is the InChIKey of 3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine?
The InChIKey is WTNAQLOHRGRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3IN2/c12-7-2-1-6(9(13)10(7)14)5-3-8(15)11(16)17-4-5/h1-4H,(H2,16,17).
What are the key properties of 3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine?
3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine has a molecular weight of 399.45 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine is sourced from PubChem (CID 119017203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).