5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine

C21H16ClIN2O — CID 135248883

IUPAC5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Cn2cc(I)c3cc(-c4ccc(Cl)cc4)cnc32)cc1
InChIInChI=1S/C21H16ClIN2O/c1-26-18-8-2-14(3-9-18)12-25-13-20(23)19-10-16(11-24-21(19)25)15-4-6-17(22)7-5-15/h2-11,13H,12H2,1H3
InChIKeyWHTMOVYTRIZULL-UHFFFAOYSA-N
MW474.73 g/mol
LogP6.02
Rot. Bonds4

About 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine

5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine (PubChem CID 135248883) has the molecular formula C21H16ClIN2O and a molecular weight of 474.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
PubChem CID135248883
Molecular FormulaC21H16ClIN2O
Molecular Weight474.73 g/mol
Exact Mass474.00
IUPAC Name5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Cn2cc(I)c3cc(-c4ccc(Cl)cc4)cnc32)cc1
InChIInChI=1S/C21H16ClIN2O/c1-26-18-8-2-14(3-9-18)12-25-13-20(23)19-10-16(11-24-21(19)25)15-4-6-17(22)7-5-15/h2-11,13H,12H2,1H3
InChIKeyWHTMOVYTRIZULL-UHFFFAOYSA-N
XLogP6.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 122584647
1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587440
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
N-[3-[5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]sulfanyl-2,4-difluorophenyl]propane-1-sulfonamide
CID 139386448
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole
CID 102364490
5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2-methylsulfanyl-1,3,4-benzotriazepine
CID 70345333
1-(4-chlorophenyl)-3-(4-ethylphenyl)-8-methoxypyrazolo[4,3-c]quinoline
CID 20852791
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine
CID 91800853
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine (CID 135248883) is 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine is COc1ccc(Cn2cc(I)c3cc(-c4ccc(Cl)cc4)cnc32)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
The InChIKey is WHTMOVYTRIZULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClIN2O/c1-26-18-8-2-14(3-9-18)12-25-13-20(23)19-10-16(11-24-21(19)25)15-4-6-17(22)7-5-15/h2-11,13H,12H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine?
5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 474.73 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135248883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).