3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine

C9H11N3O2 — CID 169463871

IUPAC3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine
SMILESCc1nc(C=CCN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O2/c1-7-9(12(13)14)5-4-8(11-7)3-2-6-10/h2-5H,6,10H2,1H3
InChIKeyCVHPOQGATVNZCF-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.27
Rot. Bonds3

About 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine

3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine (PubChem CID 169463871) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine
PubChem CID169463871
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine
SMILESCc1nc(C=CCN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O2/c1-7-9(12(13)14)5-4-8(11-7)3-2-6-10/h2-5H,6,10H2,1H3
InChIKeyCVHPOQGATVNZCF-UHFFFAOYSA-N
XLogP1.27
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.27
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

S-[4-(6-methyl-5-nitro-2-pyridinyl)but-3-enyl] ethanethioate
CID 170480478
N-butyl-3-(6-methyl-5-nitro-2-pyridinyl)prop-2-enamide
CID 71326568
3-(6-methyl-5-nitro-2-pyridinyl)-1-piperidin-1-ylprop-2-en-1-one
CID 71326571
3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine
CID 169463672
trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane
CID 53484335
2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]acetic acid
CID 70040881
6-(4-chlorobut-1-ynyl)-2-methyl-3-nitropyridine
CID 170468087
3-(2-chloro-6-methyl-5-nitro-3-pyridinyl)prop-2-ene-1-thiol
CID 169455759
[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103442243
[2-methyl-6-[(E)-2-(2-nitrophenyl)ethenyl]-3-pyridinyl] acetate
CID 69156209
4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine
CID 170487275
aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium
CID 149477160

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine (CID 169463871) is 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine is Cc1nc(C=CCN)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is CVHPOQGATVNZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7-9(12(13)14)5-4-8(11-7)3-2-6-10/h2-5H,6,10H2,1H3.
What are the key properties of 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine?
3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 193.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 169463871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).