3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine

C14H11IN2O — CID 71302995

IUPAC3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2nccc(OCc3ccccc3)c12
InChIInChI=1S/C14H11IN2O/c15-11-8-17-14-13(11)12(6-7-16-14)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyMDJCZFWKMPSCSL-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.75
Rot. Bonds3

About 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine

3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71302995) has the molecular formula C14H11IN2O and a molecular weight of 350.16 g/mol. Its IUPAC name is 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID71302995
Molecular FormulaC14H11IN2O
Molecular Weight350.16 g/mol
Exact Mass349.99
IUPAC Name3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2nccc(OCc3ccccc3)c12
InChIInChI=1S/C14H11IN2O/c15-11-8-17-14-13(11)12(6-7-16-14)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyMDJCZFWKMPSCSL-UHFFFAOYSA-N
XLogP3.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
CID 24801016
3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867
4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 171137827
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
4-phenylmethoxyquinoline
CID 11299312
4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 130119797
(3-methyl-4-phenylmethoxy-2-pyridinyl)hydrazine
CID 70451114
methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 53412715
3-iodo-4-phenylmethoxyaniline;iron
CID 70281064
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
4-chloro-3-iodo-5-phenylmethoxypyridine
CID 23642584

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine (CID 71302995) is 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine is Ic1c[nH]c2nccc(OCc3ccccc3)c12.
What is the InChIKey of 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MDJCZFWKMPSCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O/c15-11-8-17-14-13(11)12(6-7-16-14)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine?
3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 350.16 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71302995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).