(4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone

C14H9IN2O — CID 153303868

IUPAC(4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
SMILESO=C(c1ccc(I)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C14H9IN2O/c15-11-3-1-9(2-4-11)14(18)13-7-10-8-16-6-5-12(10)17-13/h1-8,17H
InChIKeyCVQKIHMUQCTRPU-UHFFFAOYSA-N
MW348.14 g/mol
LogP3.40
Rot. Bonds2

About (4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone

(4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone (PubChem CID 153303868) has the molecular formula C14H9IN2O and a molecular weight of 348.14 g/mol. Its IUPAC name is (4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
PubChem CID153303868
Molecular FormulaC14H9IN2O
Molecular Weight348.14 g/mol
Exact Mass347.98
IUPAC Name(4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
SMILESO=C(c1ccc(I)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C14H9IN2O/c15-11-3-1-9(2-4-11)14(18)13-7-10-8-16-6-5-12(10)17-13/h1-8,17H
InChIKeyCVQKIHMUQCTRPU-UHFFFAOYSA-N
XLogP3.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.40
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-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
The IUPAC name of (4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone (CID 153303868) is (4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone.
What is the SMILES notation for (4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
The canonical SMILES for (4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone is O=C(c1ccc(I)cc1)c1cc2cnccc2[nH]1.
What is the InChIKey of (4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
The InChIKey is CVQKIHMUQCTRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O/c15-11-3-1-9(2-4-11)14(18)13-7-10-8-16-6-5-12(10)17-13/h1-8,17H.
What are the key properties of (4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone?
(4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone has a molecular weight of 348.14 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone is sourced from PubChem (CID 153303868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).