N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine

C11H7ClN4O4 — CID 3097923

IUPACN-(2-chlorophenyl)-3,5-dinitropyridin-4-amine
SMILESO=[N+]([O-])c1cncc([N+](=O)[O-])c1Nc1ccccc1Cl
InChIInChI=1S/C11H7ClN4O4/c12-7-3-1-2-4-8(7)14-11-9(15(17)18)5-13-6-10(11)16(19)20/h1-6H,(H,13,14)
InChIKeySYDNVZOSGOWCBQ-UHFFFAOYSA-N
MW294.65 g/mol
LogP3.30
Rot. Bonds4

About N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine

N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine (PubChem CID 3097923) has the molecular formula C11H7ClN4O4 and a molecular weight of 294.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,5-dinitropyridin-4-amine
PubChem CID3097923
Molecular FormulaC11H7ClN4O4
Molecular Weight294.65 g/mol
Exact Mass294.02
IUPAC NameN-(2-chlorophenyl)-3,5-dinitropyridin-4-amine
SMILESO=[N+]([O-])c1cncc([N+](=O)[O-])c1Nc1ccccc1Cl
InChIInChI=1S/C11H7ClN4O4/c12-7-3-1-2-4-8(7)14-11-9(15(17)18)5-13-6-10(11)16(19)20/h1-6H,(H,13,14)
InChIKeySYDNVZOSGOWCBQ-UHFFFAOYSA-N
XLogP3.30
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine (CID 3097923) is N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine is O=[N+]([O-])c1cncc([N+](=O)[O-])c1Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine?
The InChIKey is SYDNVZOSGOWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O4/c12-7-3-1-2-4-8(7)14-11-9(15(17)18)5-13-6-10(11)16(19)20/h1-6H,(H,13,14).
What are the key properties of N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine?
N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine has a molecular weight of 294.65 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine is sourced from PubChem (CID 3097923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).