N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine

C14H11FN4O2 — CID 59304976

IUPACN-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine
SMILESCn1ccc2c(Nc3ccc([N+](=O)[O-])cc3F)ccnc21
InChIInChI=1S/C14H11FN4O2/c1-18-7-5-10-12(4-6-16-14(10)18)17-13-3-2-9(19(20)21)8-11(13)15/h2-8H,1H3,(H,16,17)
InChIKeyFOCUAIUUVXLHCL-UHFFFAOYSA-N
MW286.27 g/mol
LogP3.36
Rot. Bonds3

About N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine

N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 59304976) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine
PubChem CID59304976
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC NameN-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine
SMILESCn1ccc2c(Nc3ccc([N+](=O)[O-])cc3F)ccnc21
InChIInChI=1S/C14H11FN4O2/c1-18-7-5-10-12(4-6-16-14(10)18)17-13-3-2-9(19(20)21)8-11(13)15/h2-8H,1H3,(H,16,17)
InChIKeyFOCUAIUUVXLHCL-UHFFFAOYSA-N
XLogP3.36
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.36
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 N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine (CID 59304976) is N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine is Cn1ccc2c(Nc3ccc([N+](=O)[O-])cc3F)ccnc21.
What is the InChIKey of N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is FOCUAIUUVXLHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-18-7-5-10-12(4-6-16-14(10)18)17-13-3-2-9(19(20)21)8-11(13)15/h2-8H,1H3,(H,16,17).
What are the key properties of N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine?
N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 286.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-nitrophenyl)-1-methylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 59304976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).