3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline

C18H13IN4 — CID 143706847

IUPAC3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline
SMILESNc1cccc(-n2cnc3cc(-c4ccc(I)cc4)cnc32)c1
InChIInChI=1S/C18H13IN4/c19-14-6-4-12(5-7-14)13-8-17-18(21-10-13)23(11-22-17)16-3-1-2-15(20)9-16/h1-11H,20H2
InChIKeyYRECAUCDDJAPBW-UHFFFAOYSA-N
MW412.23 g/mol
LogP4.27
Rot. Bonds2

About 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline

3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline (PubChem CID 143706847) has the molecular formula C18H13IN4 and a molecular weight of 412.23 g/mol. Its IUPAC name is 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline.

Molecular Properties

Compound Name3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline
PubChem CID143706847
Molecular FormulaC18H13IN4
Molecular Weight412.23 g/mol
Exact Mass412.02
IUPAC Name3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline
SMILESNc1cccc(-n2cnc3cc(-c4ccc(I)cc4)cnc32)c1
InChIInChI=1S/C18H13IN4/c19-14-6-4-12(5-7-14)13-8-17-18(21-10-13)23(11-22-17)16-3-1-2-15(20)9-16/h1-11H,20H2
InChIKeyYRECAUCDDJAPBW-UHFFFAOYSA-N
XLogP4.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenol
CID 22727960
1H-benzimidazole;3-(benzimidazol-1-yl)aniline;3-iodoaniline
CID 159783352
2-amino-9-(3-aminophenyl)-1H-purin-6-one;hydrochloride
CID 135539668
3-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]aniline
CID 116648720
3-phenyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67191628
5-iodo-1-(3-pyrimidin-5-ylphenyl)benzimidazole
CID 54331458
(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
CID 82512850
2-(3-imidazo[4,5-b]pyridin-3-ylphenoxy)ethanamine
CID 82513955
[4-(6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanamine
CID 141304295
4-(3-aminophenyl)-1H-1,2,4-triazol-5-one
CID 24694809
3-(9-methylpurin-2-yl)aniline
CID 157019101
7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline
CID 170295713

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline?
The IUPAC name of 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline (CID 143706847) is 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline.
What is the SMILES notation for 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline?
The canonical SMILES for 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline is Nc1cccc(-n2cnc3cc(-c4ccc(I)cc4)cnc32)c1.
What is the InChIKey of 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline?
The InChIKey is YRECAUCDDJAPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13IN4/c19-14-6-4-12(5-7-14)13-8-17-18(21-10-13)23(11-22-17)16-3-1-2-15(20)9-16/h1-11H,20H2.
What are the key properties of 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline?
3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline has a molecular weight of 412.23 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-iodophenyl)imidazo[4,5-b]pyridin-3-yl]aniline is sourced from PubChem (CID 143706847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).