5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine

C7H6ClN3O2 — CID 19034973

IUPAC5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine
SMILESNc1cnc([N+](=O)[O-])c(/C=C/Cl)c1
InChIInChI=1S/C7H6ClN3O2/c8-2-1-5-3-6(9)4-10-7(5)11(12)13/h1-4H,9H2/b2-1+
InChIKeyHPZSRFWQKQUZCN-OWOJBTEDSA-N
MW199.60 g/mol
LogP1.78
Rot. Bonds2

About 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine

5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine (PubChem CID 19034973) has the molecular formula C7H6ClN3O2 and a molecular weight of 199.60 g/mol. Its IUPAC name is 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound Name5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine
PubChem CID19034973
Molecular FormulaC7H6ClN3O2
Molecular Weight199.60 g/mol
Exact Mass199.01
IUPAC Name5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine
SMILESNc1cnc([N+](=O)[O-])c(/C=C/Cl)c1
InChIInChI=1S/C7H6ClN3O2/c8-2-1-5-3-6(9)4-10-7(5)11(12)13/h1-4H,9H2/b2-1+
InChIKeyHPZSRFWQKQUZCN-OWOJBTEDSA-N
XLogP1.78
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.60
LogP ≤ 51.78
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
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
5-Methyl-3-nitropyridin-2-amine
CID 345644
N-methyl-5-nitropyridin-2-amine
CID 265883
N-Methyl-3-nitro-2-pyridinamine
CID 556349
N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 2727273
2-(2-Aminoethylamino)-5-nitropyridine
CID 122425
N,N-dimethyl-5-nitropyridin-2-amine
CID 75707
2-Amino-3,5-dinitropyridine
CID 504340

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine?
The IUPAC name of 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine (CID 19034973) is 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine.
What is the SMILES notation for 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine?
The canonical SMILES for 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine is Nc1cnc([N+](=O)[O-])c(/C=C/Cl)c1.
What is the InChIKey of 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine?
The InChIKey is HPZSRFWQKQUZCN-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H6ClN3O2/c8-2-1-5-3-6(9)4-10-7(5)11(12)13/h1-4H,9H2/b2-1+.
What are the key properties of 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine?
5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine has a molecular weight of 199.60 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 19034973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).