3-nitro-2-N-pentylpyridine-2,6-diamine

C10H16N4O2 — CID 80786425

IUPAC3-nitro-2-N-pentylpyridine-2,6-diamine
SMILESCCCCCNc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-2-3-4-7-12-10-8(14(15)16)5-6-9(11)13-10/h5-6H,2-4,7H2,1H3,(H3,11,12,13)
InChIKeyKKZJJAUWHWKOSJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.17
Rot. Bonds6

About 3-nitro-2-N-pentylpyridine-2,6-diamine

3-nitro-2-N-pentylpyridine-2,6-diamine (PubChem CID 80786425) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-nitro-2-N-pentylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-nitro-2-N-pentylpyridine-2,6-diamine
PubChem CID80786425
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-nitro-2-N-pentylpyridine-2,6-diamine
SMILESCCCCCNc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-2-3-4-7-12-10-8(14(15)16)5-6-9(11)13-10/h5-6H,2-4,7H2,1H3,(H3,11,12,13)
InChIKeyKKZJJAUWHWKOSJ-UHFFFAOYSA-N
XLogP2.17
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
5-nitro-6-(octylamino)pyridine-2-carboxylic acid
CID 114404374
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106343419
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine
CID 80849081
2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106332163
3-[[(6-amino-3-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 80842997
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
2-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridine-2,6-diamine
CID 102908827
3-nitro-2-N-(3-phenylbutyl)pyridine-2,6-diamine
CID 80807970
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106424187

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-N-pentylpyridine-2,6-diamine?
The IUPAC name of 3-nitro-2-N-pentylpyridine-2,6-diamine (CID 80786425) is 3-nitro-2-N-pentylpyridine-2,6-diamine.
What is the SMILES notation for 3-nitro-2-N-pentylpyridine-2,6-diamine?
The canonical SMILES for 3-nitro-2-N-pentylpyridine-2,6-diamine is CCCCCNc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-N-pentylpyridine-2,6-diamine?
The InChIKey is KKZJJAUWHWKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-4-7-12-10-8(14(15)16)5-6-9(11)13-10/h5-6H,2-4,7H2,1H3,(H3,11,12,13).
What are the key properties of 3-nitro-2-N-pentylpyridine-2,6-diamine?
3-nitro-2-N-pentylpyridine-2,6-diamine has a molecular weight of 224.26 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-N-pentylpyridine-2,6-diamine is sourced from PubChem (CID 80786425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).