[1-(4-bromo-2-nitroanilino)cyclopentyl]methanol

C12H15BrN2O3 — CID 62518867

IUPAC[1-(4-bromo-2-nitroanilino)cyclopentyl]methanol
SMILESO=[N+]([O-])c1cc(Br)ccc1NC1(CO)CCCC1
InChIInChI=1S/C12H15BrN2O3/c13-9-3-4-10(11(7-9)15(17)18)14-12(8-16)5-1-2-6-12/h3-4,7,14,16H,1-2,5-6,8H2
InChIKeyUXZISJMOSVUVAN-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.07
Rot. Bonds4

About [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol

[1-(4-bromo-2-nitroanilino)cyclopentyl]methanol (PubChem CID 62518867) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-2-nitroanilino)cyclopentyl]methanol
PubChem CID62518867
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name[1-(4-bromo-2-nitroanilino)cyclopentyl]methanol
SMILESO=[N+]([O-])c1cc(Br)ccc1NC1(CO)CCCC1
InChIInChI=1S/C12H15BrN2O3/c13-9-3-4-10(11(7-9)15(17)18)14-12(8-16)5-1-2-6-12/h3-4,7,14,16H,1-2,5-6,8H2
InChIKeyUXZISJMOSVUVAN-UHFFFAOYSA-N
XLogP3.07
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(5-bromo-2-nitroanilino)cyclohexyl]methanol
CID 65343189
[4-(5-bromo-2-nitroanilino)oxan-4-yl]methanol
CID 106299516
4-bromo-N-(1-methylcyclohexyl)-2-nitroaniline
CID 55193171
1-[(4-bromo-2-nitroanilino)methyl]cyclopentan-1-ol
CID 62896872
4-bromo-N-[(1-methylcyclopentyl)methyl]-2-nitroaniline
CID 55261407
[4-(4-iodo-2-nitroanilino)oxan-4-yl]methanol
CID 106299967
2-[1-(4-methyl-2-nitroanilino)cyclohexyl]acetic acid
CID 64700603
4-bromo-2-[[1-(hydroxymethyl)cyclohexyl]amino]benzonitrile
CID 114905281
1-(5-bromo-2-nitroanilino)cyclopentane-1-carboxylic acid
CID 65341991
N-(4-bromo-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114696945
[1-(3-amino-4-nitroanilino)cyclohexyl]methanol
CID 106749253
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol?
The IUPAC name of [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol (CID 62518867) is [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol is O=[N+]([O-])c1cc(Br)ccc1NC1(CO)CCCC1.
What is the InChIKey of [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol?
The InChIKey is UXZISJMOSVUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-9-3-4-10(11(7-9)15(17)18)14-12(8-16)5-1-2-6-12/h3-4,7,14,16H,1-2,5-6,8H2.
What are the key properties of [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol?
[1-(4-bromo-2-nitroanilino)cyclopentyl]methanol has a molecular weight of 315.17 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-nitroanilino)cyclopentyl]methanol is sourced from PubChem (CID 62518867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).