(5-chloro-4-iodo-2-nitrophenyl)methanol

C7H5ClINO3 — CID 171007120

IUPAC(5-chloro-4-iodo-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(I)c(Cl)cc1CO
InChIInChI=1S/C7H5ClINO3/c8-5-1-4(3-11)7(10(12)13)2-6(5)9/h1-2,11H,3H2
InChIKeyHEJFNRHHTBFUGA-UHFFFAOYSA-N
MW313.48 g/mol
LogP2.35
Rot. Bonds2

About (5-chloro-4-iodo-2-nitrophenyl)methanol

(5-chloro-4-iodo-2-nitrophenyl)methanol (PubChem CID 171007120) has the molecular formula C7H5ClINO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is (5-chloro-4-iodo-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(5-chloro-4-iodo-2-nitrophenyl)methanol
PubChem CID171007120
Molecular FormulaC7H5ClINO3
Molecular Weight313.48 g/mol
Exact Mass312.90
IUPAC Name(5-chloro-4-iodo-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(I)c(Cl)cc1CO
InChIInChI=1S/C7H5ClINO3/c8-5-1-4(3-11)7(10(12)13)2-6(5)9/h1-2,11H,3H2
InChIKeyHEJFNRHHTBFUGA-UHFFFAOYSA-N
XLogP2.35
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 52.35
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

(4-bromo-5-chloro-2-nitrophenyl)methanol
CID 131289970
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
(2,4,5-trinitrophenyl)methanol
CID 53422846
methane;(6-nitro-1,3-benzodioxol-5-yl)methanol
CID 67840486
2-chloro-1-(4-chloro-5-iodo-2-nitrophenyl)ethanone
CID 171007369
(5-chloro-4-iodo-2-methylphenyl)methanol
CID 171004062
2-(4,5-dichloro-2-nitrophenyl)acetate
CID 6994184
(3-nitronaphthalen-2-yl)methanol
CID 4076989
1-chloro-2-(chloromethyl)-4-iodo-5-nitrobenzene
CID 171006891
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
(2-chloro-4-iodo-5-nitrophenyl)methanamine
CID 171020643

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-iodo-2-nitrophenyl)methanol?
The IUPAC name of (5-chloro-4-iodo-2-nitrophenyl)methanol (CID 171007120) is (5-chloro-4-iodo-2-nitrophenyl)methanol.
What is the SMILES notation for (5-chloro-4-iodo-2-nitrophenyl)methanol?
The canonical SMILES for (5-chloro-4-iodo-2-nitrophenyl)methanol is O=[N+]([O-])c1cc(I)c(Cl)cc1CO.
What is the InChIKey of (5-chloro-4-iodo-2-nitrophenyl)methanol?
The InChIKey is HEJFNRHHTBFUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO3/c8-5-1-4(3-11)7(10(12)13)2-6(5)9/h1-2,11H,3H2.
What are the key properties of (5-chloro-4-iodo-2-nitrophenyl)methanol?
(5-chloro-4-iodo-2-nitrophenyl)methanol has a molecular weight of 313.48 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-iodo-2-nitrophenyl)methanol is sourced from PubChem (CID 171007120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).