N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine

C12H9ClN4O5 — CID 2848477

IUPACN-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine
SMILESCOc1cc(Nc2ccccc2Cl)c([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O5/c1-22-10-6-9(14-8-5-3-2-4-7(8)13)11(16(18)19)15-12(10)17(20)21/h2-6,14H,1H3
InChIKeyNAWUVGVTDMMZCQ-UHFFFAOYSA-N
MW324.68 g/mol
LogP3.30
Rot. Bonds5

About N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine

N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine (PubChem CID 2848477) has the molecular formula C12H9ClN4O5 and a molecular weight of 324.68 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine
PubChem CID2848477
Molecular FormulaC12H9ClN4O5
Molecular Weight324.68 g/mol
Exact Mass324.03
IUPAC NameN-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine
SMILESCOc1cc(Nc2ccccc2Cl)c([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O5/c1-22-10-6-9(14-8-5-3-2-4-7(8)13)11(16(18)19)15-12(10)17(20)21/h2-6,14H,1H3
InChIKeyNAWUVGVTDMMZCQ-UHFFFAOYSA-N
XLogP3.30
TPSA120.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.68
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-5-methoxy-2,6-dinitropyridin-3-amine?
The IUPAC name of N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine (CID 2848477) is N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine is COc1cc(Nc2ccccc2Cl)c([N+](=O)[O-])nc1[N+](=O)[O-].
What is the InChIKey of N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine?
The InChIKey is NAWUVGVTDMMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O5/c1-22-10-6-9(14-8-5-3-2-4-7(8)13)11(16(18)19)15-12(10)17(20)21/h2-6,14H,1H3.
What are the key properties of N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine?
N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine has a molecular weight of 324.68 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-methoxy-2,6-dinitropyridin-3-amine is sourced from PubChem (CID 2848477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).