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

C14H8FIN2O — CID 114029204

IUPAC(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1ccc(F)cc1I)c1c[nH]c2ccncc12
InChIInChI=1S/C14H8FIN2O/c15-8-1-2-9(12(16)5-8)14(19)11-7-18-13-3-4-17-6-10(11)13/h1-7,18H
InChIKeyCSQQEPSBURWPFE-UHFFFAOYSA-N
MW366.13 g/mol
LogP3.54
Rot. Bonds2

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

(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 114029204) has the molecular formula C14H8FIN2O and a molecular weight of 366.13 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID114029204
Molecular FormulaC14H8FIN2O
Molecular Weight366.13 g/mol
Exact Mass365.97
IUPAC Name(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1ccc(F)cc1I)c1c[nH]c2ccncc12
InChIInChI=1S/C14H8FIN2O/c15-8-1-2-9(12(16)5-8)14(19)11-7-18-13-3-4-17-6-10(11)13/h1-7,18H
InChIKeyCSQQEPSBURWPFE-UHFFFAOYSA-N
XLogP3.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 53.54
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-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of (4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 114029204) is (4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for (4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for (4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is O=C(c1ccc(F)cc1I)c1c[nH]c2ccncc12.
What is the InChIKey of (4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is CSQQEPSBURWPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN2O/c15-8-1-2-9(12(16)5-8)14(19)11-7-18-13-3-4-17-6-10(11)13/h1-7,18H.
What are the key properties of (4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 366.13 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 114029204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).