(5-nitro-2-pyrrol-1-ylphenyl)methanol

C11H10N2O3 — CID 44614021

IUPAC(5-nitro-2-pyrrol-1-ylphenyl)methanol
SMILESO=[N+]([O-])c1ccc(-n2cccc2)c(CO)c1
InChIInChI=1S/C11H10N2O3/c14-8-9-7-10(13(15)16)3-4-11(9)12-5-1-2-6-12/h1-7,14H,8H2
InChIKeyGLLGHVCGGKNBQD-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.88
Rot. Bonds3

About (5-nitro-2-pyrrol-1-ylphenyl)methanol

(5-nitro-2-pyrrol-1-ylphenyl)methanol (PubChem CID 44614021) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (5-nitro-2-pyrrol-1-ylphenyl)methanol.

Molecular Properties

Compound Name(5-nitro-2-pyrrol-1-ylphenyl)methanol
PubChem CID44614021
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(5-nitro-2-pyrrol-1-ylphenyl)methanol
SMILESO=[N+]([O-])c1ccc(-n2cccc2)c(CO)c1
InChIInChI=1S/C11H10N2O3/c14-8-9-7-10(13(15)16)3-4-11(9)12-5-1-2-6-12/h1-7,14H,8H2
InChIKeyGLLGHVCGGKNBQD-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-[(4-methoxyphenyl)methyl]-4-nitrophenyl]pyrrole
CID 122401185
[2-(3,4-dimethylpyrrolidin-1-yl)-5-nitrophenyl]methanol
CID 79189014
[5-nitro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanol
CID 102744682
[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanol
CID 28963351
[5-nitro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol
CID 61224977
(2-iodo-5-nitrophenyl)methanol
CID 118269742
[2-[4-(dimethylamino)piperidin-1-yl]-5-nitrophenyl]methanol
CID 43586230
1-[2-(hydroxymethyl)-4-nitrophenyl]-N-methylpyrazole-3-carboxamide
CID 64782301
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
4-(2-ethyl-4-nitrophenyl)-1,2,4-triazole
CID 91681074
[2-(4-butan-2-ylpiperazin-1-yl)-5-nitrophenyl]methanol
CID 62774427
(5-nitro-2-propan-2-ylphenyl)methanol
CID 118268647

Frequently Asked Questions

What is the IUPAC name of (5-nitro-2-pyrrol-1-ylphenyl)methanol?
The IUPAC name of (5-nitro-2-pyrrol-1-ylphenyl)methanol (CID 44614021) is (5-nitro-2-pyrrol-1-ylphenyl)methanol.
What is the SMILES notation for (5-nitro-2-pyrrol-1-ylphenyl)methanol?
The canonical SMILES for (5-nitro-2-pyrrol-1-ylphenyl)methanol is O=[N+]([O-])c1ccc(-n2cccc2)c(CO)c1.
What is the InChIKey of (5-nitro-2-pyrrol-1-ylphenyl)methanol?
The InChIKey is GLLGHVCGGKNBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-8-9-7-10(13(15)16)3-4-11(9)12-5-1-2-6-12/h1-7,14H,8H2.
What are the key properties of (5-nitro-2-pyrrol-1-ylphenyl)methanol?
(5-nitro-2-pyrrol-1-ylphenyl)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 (5-nitro-2-pyrrol-1-ylphenyl)methanol is sourced from PubChem (CID 44614021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).