(2-iodo-5-nitrophenyl)methanol

C7H6INO3 — CID 118269742

IUPAC(2-iodo-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(I)c(CO)c1
InChIInChI=1S/C7H6INO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2
InChIKeyZJUFAFVDPDXERG-UHFFFAOYSA-N
MW279.03 g/mol
LogP1.69
Rot. Bonds2

About (2-iodo-5-nitrophenyl)methanol

(2-iodo-5-nitrophenyl)methanol (PubChem CID 118269742) has the molecular formula C7H6INO3 and a molecular weight of 279.03 g/mol. Its IUPAC name is (2-iodo-5-nitrophenyl)methanol.

Molecular Properties

Compound Name(2-iodo-5-nitrophenyl)methanol
PubChem CID118269742
Molecular FormulaC7H6INO3
Molecular Weight279.03 g/mol
Exact Mass278.94
IUPAC Name(2-iodo-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(I)c(CO)c1
InChIInChI=1S/C7H6INO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2
InChIKeyZJUFAFVDPDXERG-UHFFFAOYSA-N
XLogP1.69
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
(5-nitro-2-propan-2-ylphenyl)methanol
CID 118268647
[2-(dipropylamino)-5-nitrophenyl]methanol
CID 28963458
2-ethyl-4-nitrophenol;2-(hydroxymethyl)-4-nitrophenol;methane
CID 157342719
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
(5-nitro-2-pyrrol-1-ylphenyl)methanol
CID 44614021
2-iodo-5-nitrobenzoic acid
CID 3848745
(2-isocyano-4-nitrophenyl)methanol
CID 23398293
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
2-(hydroxymethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 162727781
1-(2-iodo-5-nitrophenyl)propan-1-one
CID 118824443

Frequently Asked Questions

What is the IUPAC name of (2-iodo-5-nitrophenyl)methanol?
The IUPAC name of (2-iodo-5-nitrophenyl)methanol (CID 118269742) is (2-iodo-5-nitrophenyl)methanol.
What is the SMILES notation for (2-iodo-5-nitrophenyl)methanol?
The canonical SMILES for (2-iodo-5-nitrophenyl)methanol is O=[N+]([O-])c1ccc(I)c(CO)c1.
What is the InChIKey of (2-iodo-5-nitrophenyl)methanol?
The InChIKey is ZJUFAFVDPDXERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2.
What are the key properties of (2-iodo-5-nitrophenyl)methanol?
(2-iodo-5-nitrophenyl)methanol has a molecular weight of 279.03 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-5-nitrophenyl)methanol is sourced from PubChem (CID 118269742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).