2-ethenyl-4-nitropyridin-3-amine

C7H7N3O2 — CID 74891834

IUPAC2-ethenyl-4-nitropyridin-3-amine
SMILESC=Cc1nccc([N+](=O)[O-])c1N
InChIInChI=1S/C7H7N3O2/c1-2-5-7(8)6(10(11)12)3-4-9-5/h2-4H,1,8H2
InChIKeySYWRMDARMWOLJJ-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.22
Rot. Bonds2

About 2-ethenyl-4-nitropyridin-3-amine

2-ethenyl-4-nitropyridin-3-amine (PubChem CID 74891834) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-ethenyl-4-nitropyridin-3-amine.

Molecular Properties

Compound Name2-ethenyl-4-nitropyridin-3-amine
PubChem CID74891834
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-ethenyl-4-nitropyridin-3-amine
SMILESC=Cc1nccc([N+](=O)[O-])c1N
InChIInChI=1S/C7H7N3O2/c1-2-5-7(8)6(10(11)12)3-4-9-5/h2-4H,1,8H2
InChIKeySYWRMDARMWOLJJ-UHFFFAOYSA-N
XLogP1.22
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.22
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

2,4-dinitropyridin-3-amine
CID 19034991
4-nitro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 74789362
3-methyl-4-nitropyridine-2-carbaldehyde
CID 118192717
3-methyl-4-nitropyridin-2-amine
CID 19758038
4-nitro-2-phenylpyridin-3-amine
CID 131339480
4-(1,1-difluoroethyl)-2-ethenylpyridin-3-amine
CID 144756952
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
3-ethenyl-4-methyl-2-nitropyridine
CID 74888397
7-nitroquinolin-8-amine
CID 12663942
3-chloro-2,4-dinitropyridine
CID 174686743
4-ethenyl-2-methyl-3-nitropyridine
CID 74889105
3-chloro-2-iodo-4-nitropyridine
CID 131142975

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-nitropyridin-3-amine?
The IUPAC name of 2-ethenyl-4-nitropyridin-3-amine (CID 74891834) is 2-ethenyl-4-nitropyridin-3-amine.
What is the SMILES notation for 2-ethenyl-4-nitropyridin-3-amine?
The canonical SMILES for 2-ethenyl-4-nitropyridin-3-amine is C=Cc1nccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-ethenyl-4-nitropyridin-3-amine?
The InChIKey is SYWRMDARMWOLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-2-5-7(8)6(10(11)12)3-4-9-5/h2-4H,1,8H2.
What are the key properties of 2-ethenyl-4-nitropyridin-3-amine?
2-ethenyl-4-nitropyridin-3-amine has a molecular weight of 165.15 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-nitropyridin-3-amine is sourced from PubChem (CID 74891834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).