2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol

C12H17N3O3 — CID 133496220

IUPAC2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
SMILESO=[N+]([O-])c1cccnc1NC1CCCC1CCO
InChIInChI=1S/C12H17N3O3/c16-8-6-9-3-1-4-10(9)14-12-11(15(17)18)5-2-7-13-12/h2,5,7,9-10,16H,1,3-4,6,8H2,(H,13,14)
InChIKeyDTCOGALZSBVULN-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.95
Rot. Bonds5

About 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol

2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol (PubChem CID 133496220) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
PubChem CID133496220
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
SMILESO=[N+]([O-])c1cccnc1NC1CCCC1CCO
InChIInChI=1S/C12H17N3O3/c16-8-6-9-3-1-4-10(9)14-12-11(15(17)18)5-2-7-13-12/h2,5,7,9-10,16H,1,3-4,6,8H2,(H,13,14)
InChIKeyDTCOGALZSBVULN-UHFFFAOYSA-N
XLogP1.95
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.95
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

2-N-(3-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 54904971
2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 133496410
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
2-[(3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64818217
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol
CID 133496229
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
2-[2-(4-methyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496300
[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362049
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 103703733
3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
CID 79363256
2-[2-(4-methylsulfonyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496144

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol (CID 133496220) is 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol is O=[N+]([O-])c1cccnc1NC1CCCC1CCO.
What is the InChIKey of 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol?
The InChIKey is DTCOGALZSBVULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-8-6-9-3-1-4-10(9)14-12-11(15(17)18)5-2-7-13-12/h2,5,7,9-10,16H,1,3-4,6,8H2,(H,13,14).
What are the key properties of 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol?
2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol has a molecular weight of 251.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).