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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Related Compounds

2-(4-Nitrophenyl)imidazo(1,2-a)pyridine
CID 201134
2-(3-Nitrophenyl)imidazo[1,2-a]pyridine
CID 617391
4-(2,4-dimethyl-5-nitro-1H-pyrrol-3-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539314
7-Methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 2763968
6-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444234
7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4902140
2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine
CID 339983
Benzyl-methyl-[4-methyl-6-(2-methyl-imidazol-1-yl)-5-nitro-pyrimidin-2-yl]-amine
CID 488920
2-(4-Methylphenyl)-6-nitroimidazo[1,2-a]pyridine
CID 852359
N-benzyl-4-ethyl-N-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine
CID 9798591
4-(6-fluoro-1H-indol-1-yl)pyrimidin-2-amine
CID 68388345
3-(3-Nitrophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 1266290

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).