4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine

C14H10FIN2O — CID 174775405

IUPAC4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2ccnc3[nH]c(I)cc23)ccc1F
InChIInChI=1S/C14H10FIN2O/c1-19-12-6-8(2-3-11(12)15)9-4-5-17-14-10(9)7-13(16)18-14/h2-7H,1H3,(H,17,18)
InChIKeyGEGYVDWCSYHMBM-UHFFFAOYSA-N
MW368.15 g/mol
LogP3.98
Rot. Bonds2

About 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine

4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 174775405) has the molecular formula C14H10FIN2O and a molecular weight of 368.15 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine
PubChem CID174775405
Molecular FormulaC14H10FIN2O
Molecular Weight368.15 g/mol
Exact Mass367.98
IUPAC Name4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2ccnc3[nH]c(I)cc23)ccc1F
InChIInChI=1S/C14H10FIN2O/c1-19-12-6-8(2-3-11(12)15)9-4-5-17-14-10(9)7-13(16)18-14/h2-7H,1H3,(H,17,18)
InChIKeyGEGYVDWCSYHMBM-UHFFFAOYSA-N
XLogP3.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine (CID 174775405) is 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine is COc1cc(-c2ccnc3[nH]c(I)cc23)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GEGYVDWCSYHMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2O/c1-19-12-6-8(2-3-11(12)15)9-4-5-17-14-10(9)7-13(16)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine?
4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 368.15 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyphenyl)-2-iodo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 174775405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).