N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine

C10H15ClN4O2 — CID 115303224

IUPACN-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15ClN4O2/c1-7(4-12-2)5-13-10-9(15(16)17)3-8(11)6-14-10/h3,6-7,12H,4-5H2,1-2H3,(H,13,14)
InChIKeySESIFCYKAJLPMQ-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.91
Rot. Bonds6

About N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine

N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 115303224) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID115303224
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC NameN-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15ClN4O2/c1-7(4-12-2)5-13-10-9(15(16)17)3-8(11)6-14-10/h3,6-7,12H,4-5H2,1-2H3,(H,13,14)
InChIKeySESIFCYKAJLPMQ-UHFFFAOYSA-N
XLogP1.91
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 115301549
5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624
2-[(5-chloro-3-nitro-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338860
N,2-dimethyl-N'-(5-nitropyrimidin-2-yl)propane-1,3-diamine
CID 115303176

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine (CID 115303224) is N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine is CNCC(C)CNc1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is SESIFCYKAJLPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-7(4-12-2)5-13-10-9(15(16)17)3-8(11)6-14-10/h3,6-7,12H,4-5H2,1-2H3,(H,13,14).
What are the key properties of N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 258.71 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115303224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).