2-nitro-1-pyridin-3-ylethenamine

C7H7N3O2 — CID 70571818

IUPAC2-nitro-1-pyridin-3-ylethenamine
SMILESNC(=C[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C7H7N3O2/c8-7(5-10(11)12)6-2-1-3-9-4-6/h1-5H,8H2
InChIKeyMBKBDOCUXYRGMA-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.62
Rot. Bonds2

About 2-nitro-1-pyridin-3-ylethenamine

2-nitro-1-pyridin-3-ylethenamine (PubChem CID 70571818) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-nitro-1-pyridin-3-ylethenamine.

Molecular Properties

Compound Name2-nitro-1-pyridin-3-ylethenamine
PubChem CID70571818
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-nitro-1-pyridin-3-ylethenamine
SMILESNC(=C[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C7H7N3O2/c8-7(5-10(11)12)6-2-1-3-9-4-6/h1-5H,8H2
InChIKeyMBKBDOCUXYRGMA-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
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

1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine
CID 174278087
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
oxalic acid;pyridine-3-carboxamide
CID 69110411
guanidine;pyridin-3-yl nitrate
CID 173434009
neodymium(3+);pyridine-3-carboxylate
CID 23619365
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
potassium;ethene;pyridine-3-carboxamide
CID 174767244
N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide
CID 19734501

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-pyridin-3-ylethenamine?
The IUPAC name of 2-nitro-1-pyridin-3-ylethenamine (CID 70571818) is 2-nitro-1-pyridin-3-ylethenamine.
What is the SMILES notation for 2-nitro-1-pyridin-3-ylethenamine?
The canonical SMILES for 2-nitro-1-pyridin-3-ylethenamine is NC(=C[N+](=O)[O-])c1cccnc1.
What is the InChIKey of 2-nitro-1-pyridin-3-ylethenamine?
The InChIKey is MBKBDOCUXYRGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c8-7(5-10(11)12)6-2-1-3-9-4-6/h1-5H,8H2.
What are the key properties of 2-nitro-1-pyridin-3-ylethenamine?
2-nitro-1-pyridin-3-ylethenamine has a molecular weight of 165.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-pyridin-3-ylethenamine is sourced from PubChem (CID 70571818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).