4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine

C8H8ClN3O2 — CID 176971983

IUPAC4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine
SMILESC=Cc1c(NC)ncc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H8ClN3O2/c1-3-5-7(9)6(12(13)14)4-11-8(5)10-2/h3-4H,1H2,2H3,(H,10,11)
InChIKeyGOYQTOOALOPIJB-UHFFFAOYSA-N
MW213.62 g/mol
LogP2.33
Rot. Bonds3

About 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine

4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine (PubChem CID 176971983) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine
PubChem CID176971983
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine
SMILESC=Cc1c(NC)ncc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H8ClN3O2/c1-3-5-7(9)6(12(13)14)4-11-8(5)10-2/h3-4H,1H2,2H3,(H,10,11)
InChIKeyGOYQTOOALOPIJB-UHFFFAOYSA-N
XLogP2.33
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine (CID 176971983) is 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine is C=Cc1c(NC)ncc([N+](=O)[O-])c1Cl.
What is the InChIKey of 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine?
The InChIKey is GOYQTOOALOPIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-3-5-7(9)6(12(13)14)4-11-8(5)10-2/h3-4H,1H2,2H3,(H,10,11).
What are the key properties of 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine?
4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine has a molecular weight of 213.62 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 176971983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).