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

C15H13FN4O2 — CID 70327985

IUPACN-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1F)c1ccnc2c1ccn2C
InChIInChI=1S/C15H13FN4O2/c1-18-8-6-11-13(5-7-17-15(11)18)19(2)14-4-3-10(20(21)22)9-12(14)16/h3-9H,1-2H3
InChIKeyDCMARDDFELIWJI-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.39
Rot. Bonds3

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

N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 70327985) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine
PubChem CID70327985
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1F)c1ccnc2c1ccn2C
InChIInChI=1S/C15H13FN4O2/c1-18-8-6-11-13(5-7-17-15(11)18)19(2)14-4-3-10(20(21)22)9-12(14)16/h3-9H,1-2H3
InChIKeyDCMARDDFELIWJI-UHFFFAOYSA-N
XLogP3.39
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
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)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine (CID 70327985) is N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine is CN(c1ccc([N+](=O)[O-])cc1F)c1ccnc2c1ccn2C.
What is the InChIKey of N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is DCMARDDFELIWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-18-8-6-11-13(5-7-17-15(11)18)19(2)14-4-3-10(20(21)22)9-12(14)16/h3-9H,1-2H3.
What are the key properties of N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine?
N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 300.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-nitrophenyl)-N,1-dimethylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 70327985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).