[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol

C12H11ClN2O3 — CID 79580068

IUPAC[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Cn1cccc1CO
InChIInChI=1S/C12H11ClN2O3/c13-10-3-4-12(15(17)18)9(6-10)7-14-5-1-2-11(14)8-16/h1-6,16H,7-8H2
InChIKeyKEIJKXNIVODLMX-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.59
Rot. Bonds4

About [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol

[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol (PubChem CID 79580068) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol
PubChem CID79580068
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Cn1cccc1CO
InChIInChI=1S/C12H11ClN2O3/c13-10-3-4-12(15(17)18)9(6-10)7-14-5-1-2-11(14)8-16/h1-6,16H,7-8H2
InChIKeyKEIJKXNIVODLMX-UHFFFAOYSA-N
XLogP2.59
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.59
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-[(4-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol
CID 66398888
1-[(5-chloro-2-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 79580591
3-[(5-chloro-2-nitrophenyl)methyl]-1,3-thiazol-2-one
CID 115669198
N-[[1-[(4-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403172
1-[(5-chloro-2-nitrophenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 116625210
1-[(5-chloro-2-nitrophenyl)methyl]-2-propan-2-ylimidazole
CID 79580942
3-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]propan-1-amine
CID 170878299
1-[(5-chloro-2-nitrophenyl)methyl]pyrazol-4-ol
CID 116799335
[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-3-yl]methanamine
CID 79580932
2-[1-[(5-chloro-2-nitrophenyl)methyl]triazol-4-yl]acetic acid
CID 107461560
1-[(5-chloro-2-nitrophenyl)methyl]-4-methylpiperidin-4-ol
CID 80701975
1-[(2,5-dichlorophenyl)methyl]-7-nitroindole
CID 114936220

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol?
The IUPAC name of [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol (CID 79580068) is [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol?
The canonical SMILES for [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol is O=[N+]([O-])c1ccc(Cl)cc1Cn1cccc1CO.
What is the InChIKey of [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol?
The InChIKey is KEIJKXNIVODLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-10-3-4-12(15(17)18)9(6-10)7-14-5-1-2-11(14)8-16/h1-6,16H,7-8H2.
What are the key properties of [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol?
[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol has a molecular weight of 266.68 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 79580068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).