2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine

C14H10I2N2O — CID 135062928

IUPAC2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine
SMILESIc1[nH]c2ccc(OCc3ccccc3)nc2c1I
InChIInChI=1S/C14H10I2N2O/c15-12-13-10(17-14(12)16)6-7-11(18-13)19-8-9-4-2-1-3-5-9/h1-7,17H,8H2
InChIKeyTVFRLELKIZUJQC-UHFFFAOYSA-N
MW476.06 g/mol
LogP4.35
Rot. Bonds3

About 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine

2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine (PubChem CID 135062928) has the molecular formula C14H10I2N2O and a molecular weight of 476.06 g/mol. Its IUPAC name is 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine
PubChem CID135062928
Molecular FormulaC14H10I2N2O
Molecular Weight476.06 g/mol
Exact Mass475.89
IUPAC Name2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine
SMILESIc1[nH]c2ccc(OCc3ccccc3)nc2c1I
InChIInChI=1S/C14H10I2N2O/c15-12-13-10(17-14(12)16)6-7-11(18-13)19-8-9-4-2-1-3-5-9/h1-7,17H,8H2
InChIKeyTVFRLELKIZUJQC-UHFFFAOYSA-N
XLogP4.35
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.06
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(phenylmethoxy)pyridazine
CID 68982842
ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
CID 561266
6-phenylmethoxypyridine-2,3-diamine
CID 67311804
(2-methyl-6-phenylmethoxy-3-pyridinyl)methanamine
CID 79885210
2-fluoro-6-phenylmethoxypyridin-3-ol
CID 125115954
2-chloro-7-phenylmethoxy-1,8-naphthyridine
CID 21073265
(6-phenylmethoxypyridazin-3-yl)methanamine
CID 62291717
5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
CID 141304726
3-iodo-7-phenylmethoxy-2H-indazole
CID 46835458
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
2-(chloromethyl)-6-phenylmethoxypyridine
CID 21193174
phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol
CID 13162241

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine (CID 135062928) is 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine is Ic1[nH]c2ccc(OCc3ccccc3)nc2c1I.
What is the InChIKey of 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is TVFRLELKIZUJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10I2N2O/c15-12-13-10(17-14(12)16)6-7-11(18-13)19-8-9-4-2-1-3-5-9/h1-7,17H,8H2.
What are the key properties of 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine?
2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 476.06 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodo-5-phenylmethoxy-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 135062928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).