[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol

C11H14BrN3O3 — CID 106362049

IUPAC[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1cc(Br)cnc1NC1CCCC1CO
InChIInChI=1S/C11H14BrN3O3/c12-8-4-10(15(17)18)11(13-5-8)14-9-3-1-2-7(9)6-16/h4-5,7,9,16H,1-3,6H2,(H,13,14)
InChIKeyOVXCVFNTTVNMDZ-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.33
Rot. Bonds4

About [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol

[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol (PubChem CID 106362049) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
PubChem CID106362049
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1cc(Br)cnc1NC1CCCC1CO
InChIInChI=1S/C11H14BrN3O3/c12-8-4-10(15(17)18)11(13-5-8)14-9-3-1-2-7(9)6-16/h4-5,7,9,16H,1-3,6H2,(H,13,14)
InChIKeyOVXCVFNTTVNMDZ-UHFFFAOYSA-N
XLogP2.33
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.33
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

5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
CID 106359094
5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine
CID 103768273
4-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 61227666
4-N-(5-bromo-3-nitro-2-pyridinyl)-1-N-methylcyclohexane-1,4-diamine
CID 79110639
2-[3-[(5-bromo-3-nitro-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384900
5-bromo-3-nitro-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 169093551
6-[[2-(hydroxymethyl)cyclopentyl]methylamino]-5-nitropyridine-3-carboxylic acid
CID 81446810
2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
CID 133496220
[(1S,2R)-2-[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]amino]cyclohexyl]methanol
CID 95774894
[(1S,2S)-2-[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]amino]cyclohexyl]methanol
CID 95774895
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol (CID 106362049) is [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol is O=[N+]([O-])c1cc(Br)cnc1NC1CCCC1CO.
What is the InChIKey of [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol?
The InChIKey is OVXCVFNTTVNMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c12-8-4-10(15(17)18)11(13-5-8)14-9-3-1-2-7(9)6-16/h4-5,7,9,16H,1-3,6H2,(H,13,14).
What are the key properties of [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol?
[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol has a molecular weight of 316.16 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 106362049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).