fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

C14H8FN3O4 — CID 143239660

IUPACfluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESO=C(OF)c1[nH]c2cccnc2c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8FN3O4/c15-22-14(19)13-11(12-10(17-13)2-1-7-16-12)8-3-5-9(6-4-8)18(20)21/h1-7,17H
InChIKeyHEDNGGDLELVDRJ-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.18
Rot. Bonds3

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

fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (PubChem CID 143239660) has the molecular formula C14H8FN3O4 and a molecular weight of 301.23 g/mol. Its IUPAC name is fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namefluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
PubChem CID143239660
Molecular FormulaC14H8FN3O4
Molecular Weight301.23 g/mol
Exact Mass301.05
IUPAC Namefluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESO=C(OF)c1[nH]c2cccnc2c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8FN3O4/c15-22-14(19)13-11(12-10(17-13)2-1-7-16-12)8-3-5-9(6-4-8)18(20)21/h1-7,17H
InChIKeyHEDNGGDLELVDRJ-UHFFFAOYSA-N
XLogP3.18
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (CID 143239660) is fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate is O=C(OF)c1[nH]c2cccnc2c1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The InChIKey is HEDNGGDLELVDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O4/c15-22-14(19)13-11(12-10(17-13)2-1-7-16-12)8-3-5-9(6-4-8)18(20)21/h1-7,17H.
What are the key properties of fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 301.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 143239660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).