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

C11H7ClN4O4 — CID 2837278

IUPACN-(2-chlorophenyl)-3,5-dinitropyridin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7ClN4O4/c12-8-3-1-2-4-9(8)14-11-10(16(19)20)5-7(6-13-11)15(17)18/h1-6H,(H,13,14)
InChIKeyNICUNNRCMXBCDT-UHFFFAOYSA-N
MW294.65 g/mol
LogP3.30
Rot. Bonds4

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

N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine (PubChem CID 2837278) has the molecular formula C11H7ClN4O4 and a molecular weight of 294.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,5-dinitropyridin-2-amine
PubChem CID2837278
Molecular FormulaC11H7ClN4O4
Molecular Weight294.65 g/mol
Exact Mass294.02
IUPAC NameN-(2-chlorophenyl)-3,5-dinitropyridin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7ClN4O4/c12-8-3-1-2-4-9(8)14-11-10(16(19)20)5-7(6-13-11)15(17)18/h1-6H,(H,13,14)
InChIKeyNICUNNRCMXBCDT-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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Related Compounds

methyl 2-[(3,5-dinitro-2-pyridinyl)amino]benzoate
CID 4229234
N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine
CID 3097917
N-(3,5-dimethylphenyl)-3,5-dinitropyridin-2-amine
CID 2858015
N-(4-tert-butylphenyl)-3,5-dinitropyridin-2-amine
CID 87349158
3,5-dinitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 91983831
N-(2-chlorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline
CID 22769746
N-(1,3-benzodioxol-5-yl)-3,5-dinitropyridin-2-amine
CID 21329304
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
6-N-(2-chlorophenyl)-4-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530775
3,5-dinitro-N-propan-2-ylpyridin-2-amine
CID 162519856
5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
CID 63463330
6-(2,6-dichloroanilino)-5-nitropyridine-3-carboxylic acid
CID 81448213

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine?
The IUPAC name of N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine (CID 2837278) is N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine is O=[N+]([O-])c1cnc(Nc2ccccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine?
The InChIKey is NICUNNRCMXBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O4/c12-8-3-1-2-4-9(8)14-11-10(16(19)20)5-7(6-13-11)15(17)18/h1-6H,(H,13,14).
What are the key properties of N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine?
N-(2-chlorophenyl)-3,5-dinitropyridin-2-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-2-amine is sourced from PubChem (CID 2837278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).