1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine

C11H9ClIN3 — CID 156571441

IUPAC1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine
SMILESNc1cc(I)ccc1Nc1ccc(Cl)nc1
InChIInChI=1S/C11H9ClIN3/c12-11-4-2-8(6-15-11)16-10-3-1-7(13)5-9(10)14/h1-6,16H,14H2
InChIKeyUVROCHMIKRRWOX-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.67
Rot. Bonds2

About 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine

1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine (PubChem CID 156571441) has the molecular formula C11H9ClIN3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine
PubChem CID156571441
Molecular FormulaC11H9ClIN3
Molecular Weight345.57 g/mol
Exact Mass344.95
IUPAC Name1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine
SMILESNc1cc(I)ccc1Nc1ccc(Cl)nc1
InChIInChI=1S/C11H9ClIN3/c12-11-4-2-8(6-15-11)16-10-3-1-7(13)5-9(10)14/h1-6,16H,14H2
InChIKeyUVROCHMIKRRWOX-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-1-N-(2,4,5-trichlorophenyl)benzene-1,2-diamine
CID 66066255
4-iodo-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 66066450
1-N-(3-bromo-4-iodophenyl)-4-iodobenzene-1,2-diamine
CID 114261880
4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile
CID 107787081
4-iodo-1-N-(4-methylsulfonylphenyl)benzene-1,2-diamine
CID 66066064
1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine
CID 156571539
1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66066299
5-(2-amino-4-iodoanilino)-2-methylisoindole-1,3-dione
CID 66066254
6-chloro-N-phenylpyridin-3-amine
CID 175055218
4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine
CID 114258531
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine?
The IUPAC name of 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine (CID 156571441) is 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine?
The canonical SMILES for 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine is Nc1cc(I)ccc1Nc1ccc(Cl)nc1.
What is the InChIKey of 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine?
The InChIKey is UVROCHMIKRRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3/c12-11-4-2-8(6-15-11)16-10-3-1-7(13)5-9(10)14/h1-6,16H,14H2.
What are the key properties of 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine?
1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine has a molecular weight of 345.57 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine is sourced from PubChem (CID 156571441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).