N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine

C10H6ClN5O4 — CID 3097917

IUPACN-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H6ClN5O4/c11-6-1-2-9(12-4-6)14-10-8(16(19)20)3-7(5-13-10)15(17)18/h1-5H,(H,12,13,14)
InChIKeyLFQZRGHJOLHCGV-UHFFFAOYSA-N
MW295.64 g/mol
LogP2.69
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine

N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine (PubChem CID 3097917) has the molecular formula C10H6ClN5O4 and a molecular weight of 295.64 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine
PubChem CID3097917
Molecular FormulaC10H6ClN5O4
Molecular Weight295.64 g/mol
Exact Mass295.01
IUPAC NameN-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H6ClN5O4/c11-6-1-2-9(12-4-6)14-10-8(16(19)20)3-7(5-13-10)15(17)18/h1-5H,(H,12,13,14)
InChIKeyLFQZRGHJOLHCGV-UHFFFAOYSA-N
XLogP2.69
TPSA124.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.64
LogP ≤ 52.69
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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Related Compounds

N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine
CID 2837278
N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
CID 4764041
N-(3,5-dimethylphenyl)-3,5-dinitropyridin-2-amine
CID 2858015
N-(4-tert-butylphenyl)-3,5-dinitropyridin-2-amine
CID 87349158
N-(5-chloro-2-pyridinyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526793
1-(4-chloro-2-fluoro-5-nitrophenyl)-2-(5-chloro-2-pyridinyl)hydrazine
CID 12040813
4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol
CID 70584439
4-N-(5-chloro-2-pyridinyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485493
methyl 2-[(3,5-dinitro-2-pyridinyl)amino]benzoate
CID 4229234
3,5-dinitro-N-propan-2-ylpyridin-2-amine
CID 162519856
3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine
CID 175584843
6-N-(4-bromo-2-fluorophenyl)-4-N-(5-chloro-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22531223

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine (CID 3097917) is N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine is O=[N+]([O-])c1cnc(Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine?
The InChIKey is LFQZRGHJOLHCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O4/c11-6-1-2-9(12-4-6)14-10-8(16(19)20)3-7(5-13-10)15(17)18/h1-5H,(H,12,13,14).
What are the key properties of N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine?
N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine has a molecular weight of 295.64 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3,5-dinitropyridin-2-amine is sourced from PubChem (CID 3097917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).