[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol

C11H13ClN2O3 — CID 104839141

IUPAC[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol
SMILESO=[N+]([O-])c1c(Cl)cccc1N1CCC(CO)C1
InChIInChI=1S/C11H13ClN2O3/c12-9-2-1-3-10(11(9)14(16)17)13-5-4-8(6-13)7-15/h1-3,8,15H,4-7H2
InChIKeyZULJFPUAZBWRGU-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.07
Rot. Bonds3

About [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol

[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol (PubChem CID 104839141) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol
PubChem CID104839141
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol
SMILESO=[N+]([O-])c1c(Cl)cccc1N1CCC(CO)C1
InChIInChI=1S/C11H13ClN2O3/c12-9-2-1-3-10(11(9)14(16)17)13-5-4-8(6-13)7-15/h1-3,8,15H,4-7H2
InChIKeyZULJFPUAZBWRGU-UHFFFAOYSA-N
XLogP2.07
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
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

2-[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 114799159
1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 104839441
1-(3-chloro-2-nitrophenyl)-3-(trifluoromethyl)pyrrolidine
CID 114271952
2-[1-(3-chloro-2-nitrophenyl)piperidin-4-yl]oxyethanol
CID 104839124
1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine
CID 104838828
2-[4-(3-chloro-2-nitrophenyl)piperazin-1-yl]ethanol
CID 104838811
4-(3-chloro-2-nitrophenyl)morpholine-2-carboxylic acid
CID 104835149
4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
CID 104838773
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
[1-(6-chloro-5-nitropyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112627029
4-(3-chloro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 104838904
1-(3-chloro-2-nitrophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427582

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol (CID 104839141) is [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol is O=[N+]([O-])c1c(Cl)cccc1N1CCC(CO)C1.
What is the InChIKey of [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is ZULJFPUAZBWRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-2-1-3-10(11(9)14(16)17)13-5-4-8(6-13)7-15/h1-3,8,15H,4-7H2.
What are the key properties of [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol?
[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 256.69 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 104839141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).