[1-(4-nitrophenyl)pyrrol-2-yl]methanol

C11H10N2O3 — CID 894394

IUPAC[1-(4-nitrophenyl)pyrrol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(-n2cccc2CO)cc1
InChIInChI=1S/C11H10N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h1-7,14H,8H2
InChIKeyJLVWUBQUQFWSCP-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.88
Rot. Bonds3

About [1-(4-nitrophenyl)pyrrol-2-yl]methanol

[1-(4-nitrophenyl)pyrrol-2-yl]methanol (PubChem CID 894394) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is [1-(4-nitrophenyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-nitrophenyl)pyrrol-2-yl]methanol
PubChem CID894394
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name[1-(4-nitrophenyl)pyrrol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(-n2cccc2CO)cc1
InChIInChI=1S/C11H10N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h1-7,14H,8H2
InChIKeyJLVWUBQUQFWSCP-UHFFFAOYSA-N
XLogP1.88
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.88
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

[1-(2-fluoro-4-nitrophenyl)pyrrol-2-yl]methanol
CID 174455739
4-[3-[1-(4-nitrophenyl)pyrrol-2-yl]propyl]morpholine
CID 170871113
1-(4-nitrophenyl)pyrimidin-2-one
CID 59260079
(E)-2-methyl-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enoic acid
CID 170873315
(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-[[1-(4-nitrophenyl)pyrrol-2-yl]methyl]diazene
CID 91501256
1-benzyl-1-[[1-(4-nitrophenyl)pyrrol-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
CID 139657080
N-butyl-1-[1-(4-nitrophenyl)pyrrol-2-yl]methanimine
CID 5141048
[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene
CID 170921731
1-(4-nitrophenyl)pyrido[2,3-b]indole
CID 67500864
(Z)-1-[1-(4-nitrophenyl)pyrrol-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5398415
5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2281234
5-nitro-6-[2-[1-(4-nitrophenyl)pyrrol-2-yl]ethenyl]-1H-pyrimidine-2,4-dione
CID 5185960

Frequently Asked Questions

What is the IUPAC name of [1-(4-nitrophenyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(4-nitrophenyl)pyrrol-2-yl]methanol (CID 894394) is [1-(4-nitrophenyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(4-nitrophenyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(4-nitrophenyl)pyrrol-2-yl]methanol is O=[N+]([O-])c1ccc(-n2cccc2CO)cc1.
What is the InChIKey of [1-(4-nitrophenyl)pyrrol-2-yl]methanol?
The InChIKey is JLVWUBQUQFWSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h1-7,14H,8H2.
What are the key properties of [1-(4-nitrophenyl)pyrrol-2-yl]methanol?
[1-(4-nitrophenyl)pyrrol-2-yl]methanol has a molecular weight of 218.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-nitrophenyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 894394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).