6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol

C12H19N3O4 — CID 103918200

IUPAC6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
SMILESCOc1ccc([N+](=O)[O-])c(NCCCCCCO)n1
InChIInChI=1S/C12H19N3O4/c1-19-11-7-6-10(15(17)18)12(14-11)13-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyKUPIYRONFXUDKC-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.96
Rot. Bonds9

About 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol

6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol (PubChem CID 103918200) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
PubChem CID103918200
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
SMILESCOc1ccc([N+](=O)[O-])c(NCCCCCCO)n1
InChIInChI=1S/C12H19N3O4/c1-19-11-7-6-10(15(17)18)12(14-11)13-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyKUPIYRONFXUDKC-UHFFFAOYSA-N
XLogP1.96
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 70453186
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol (CID 103918200) is 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol is COc1ccc([N+](=O)[O-])c(NCCCCCCO)n1.
What is the InChIKey of 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol?
The InChIKey is KUPIYRONFXUDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-19-11-7-6-10(15(17)18)12(14-11)13-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,13,14).
What are the key properties of 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol?
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol has a molecular weight of 269.30 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol is sourced from PubChem (CID 103918200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).