[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol

C12H18N4O3 — CID 106368323

IUPAC[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESNc1cc([N+](=O)[O-])cc(NC2CCCCC2CO)n1
InChIInChI=1S/C12H18N4O3/c13-11-5-9(16(18)19)6-12(15-11)14-10-4-2-1-3-8(10)7-17/h5-6,8,10,17H,1-4,7H2,(H3,13,14,15)
InChIKeyINSNGQMTJPAYSL-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.53
Rot. Bonds4

About [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol

[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol (PubChem CID 106368323) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
PubChem CID106368323
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESNc1cc([N+](=O)[O-])cc(NC2CCCCC2CO)n1
InChIInChI=1S/C12H18N4O3/c13-11-5-9(16(18)19)6-12(15-11)14-10-4-2-1-3-8(10)7-17/h5-6,8,10,17H,1-4,7H2,(H3,13,14,15)
InChIKeyINSNGQMTJPAYSL-UHFFFAOYSA-N
XLogP1.53
TPSA114.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
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

[2-(3-amino-5-nitroanilino)cyclohexyl]methanol
CID 106368183
[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368301
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
[2-(3-nitroanilino)cyclopentyl]methanol
CID 103703697
[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
[2-[3-(methylamino)-5-nitroanilino]cyclopentyl]methanol
CID 106368067
4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106138650
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-nitrobenzoic acid
CID 106361797
[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
CID 103846647
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368406
6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine
CID 114121084

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol (CID 106368323) is [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol is Nc1cc([N+](=O)[O-])cc(NC2CCCCC2CO)n1.
What is the InChIKey of [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
The InChIKey is INSNGQMTJPAYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-11-5-9(16(18)19)6-12(15-11)14-10-4-2-1-3-8(10)7-17/h5-6,8,10,17H,1-4,7H2,(H3,13,14,15).
What are the key properties of [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol has a molecular weight of 266.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106368323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).