6-nitro-5-(2-phenylethenyl)pyridin-3-amine

C13H11N3O2 — CID 57101132

IUPAC6-nitro-5-(2-phenylethenyl)pyridin-3-amine
SMILESNc1cnc([N+](=O)[O-])c(C=Cc2ccccc2)c1
InChIInChI=1S/C13H11N3O2/c14-12-8-11(13(15-9-12)16(17)18)7-6-10-4-2-1-3-5-10/h1-9H,14H2
InChIKeyBPEFPCPDVPZVPV-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.74
Rot. Bonds3

About 6-nitro-5-(2-phenylethenyl)pyridin-3-amine

6-nitro-5-(2-phenylethenyl)pyridin-3-amine (PubChem CID 57101132) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-nitro-5-(2-phenylethenyl)pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-5-(2-phenylethenyl)pyridin-3-amine
PubChem CID57101132
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-nitro-5-(2-phenylethenyl)pyridin-3-amine
SMILESNc1cnc([N+](=O)[O-])c(C=Cc2ccccc2)c1
InChIInChI=1S/C13H11N3O2/c14-12-8-11(13(15-9-12)16(17)18)7-6-10-4-2-1-3-5-10/h1-9H,14H2
InChIKeyBPEFPCPDVPZVPV-UHFFFAOYSA-N
XLogP2.74
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-Nitropyridin-2-ylamine
CID 77887
5-Nitro-2-piperidinopyridine
CID 97158
5-Phenyl-2-pyridinamine
CID 105097
5-Nitro-N-phenylpyridin-2-amine
CID 81268
2-Amino-4-methyl-3-nitropyridine
CID 243166
2-Amino-4-methyl-5-nitropyridine
CID 243165
2-Benzylamino-5-nitropyridine
CID 261542
2-Amino-5-nitropyridine
CID 77888
4-[2-(3-Nitrophenyl)ethenyl]pyridine
CID 788684
1-(3-Nitropyridin-2-yl)piperazine
CID 3778834
5-Methyl-3-nitropyridin-2-amine
CID 345644
N-methyl-5-nitropyridin-2-amine
CID 265883

Frequently Asked Questions

What is the IUPAC name of 6-nitro-5-(2-phenylethenyl)pyridin-3-amine?
The IUPAC name of 6-nitro-5-(2-phenylethenyl)pyridin-3-amine (CID 57101132) is 6-nitro-5-(2-phenylethenyl)pyridin-3-amine.
What is the SMILES notation for 6-nitro-5-(2-phenylethenyl)pyridin-3-amine?
The canonical SMILES for 6-nitro-5-(2-phenylethenyl)pyridin-3-amine is Nc1cnc([N+](=O)[O-])c(C=Cc2ccccc2)c1.
What is the InChIKey of 6-nitro-5-(2-phenylethenyl)pyridin-3-amine?
The InChIKey is BPEFPCPDVPZVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-12-8-11(13(15-9-12)16(17)18)7-6-10-4-2-1-3-5-10/h1-9H,14H2.
What are the key properties of 6-nitro-5-(2-phenylethenyl)pyridin-3-amine?
6-nitro-5-(2-phenylethenyl)pyridin-3-amine has a molecular weight of 241.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-5-(2-phenylethenyl)pyridin-3-amine is sourced from PubChem (CID 57101132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).