3-chloro-2-[(2-iodoanilino)methyl]phenol

C13H11ClINO — CID 113276494

IUPAC3-chloro-2-[(2-iodoanilino)methyl]phenol
SMILESOc1cccc(Cl)c1CNc1ccccc1I
InChIInChI=1S/C13H11ClINO/c14-10-4-3-7-13(17)9(10)8-16-12-6-2-1-5-11(12)15/h1-7,16-17H,8H2
InChIKeyZYNWRDRFANUCGI-UHFFFAOYSA-N
MW359.59 g/mol
LogP4.26
Rot. Bonds3

About 3-chloro-2-[(2-iodoanilino)methyl]phenol

3-chloro-2-[(2-iodoanilino)methyl]phenol (PubChem CID 113276494) has the molecular formula C13H11ClINO and a molecular weight of 359.59 g/mol. Its IUPAC name is 3-chloro-2-[(2-iodoanilino)methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[(2-iodoanilino)methyl]phenol
PubChem CID113276494
Molecular FormulaC13H11ClINO
Molecular Weight359.59 g/mol
Exact Mass358.96
IUPAC Name3-chloro-2-[(2-iodoanilino)methyl]phenol
SMILESOc1cccc(Cl)c1CNc1ccccc1I
InChIInChI=1S/C13H11ClINO/c14-10-4-3-7-13(17)9(10)8-16-12-6-2-1-5-11(12)15/h1-7,16-17H,8H2
InChIKeyZYNWRDRFANUCGI-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[(2-propylanilino)methyl]phenol
CID 114317993
3-chloro-2-[[2-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 114317962
3-chloro-2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 114318234
2-[(2-bromo-4-chloroanilino)methyl]-3-chlorophenol
CID 114318253
2-[(4-bromo-2,3-dichloroanilino)methyl]-3-chlorophenol
CID 107788099
3-chloro-2-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 114317924
3-chloro-2-[(3-iodo-4-methylanilino)methyl]phenol
CID 114318031
[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623
3-chloro-2-[(2,5-dibromoanilino)methyl]phenol
CID 113276502
4-[(2-iodoanilino)methyl]benzene-1,2,3-triol
CID 103953913
3-chloro-2-[(2,3,4,5,6-pentafluoroanilino)methyl]phenol
CID 115564169
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-2-methylaniline
CID 114256870

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-iodoanilino)methyl]phenol?
The IUPAC name of 3-chloro-2-[(2-iodoanilino)methyl]phenol (CID 113276494) is 3-chloro-2-[(2-iodoanilino)methyl]phenol.
What is the SMILES notation for 3-chloro-2-[(2-iodoanilino)methyl]phenol?
The canonical SMILES for 3-chloro-2-[(2-iodoanilino)methyl]phenol is Oc1cccc(Cl)c1CNc1ccccc1I.
What is the InChIKey of 3-chloro-2-[(2-iodoanilino)methyl]phenol?
The InChIKey is ZYNWRDRFANUCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO/c14-10-4-3-7-13(17)9(10)8-16-12-6-2-1-5-11(12)15/h1-7,16-17H,8H2.
What are the key properties of 3-chloro-2-[(2-iodoanilino)methyl]phenol?
3-chloro-2-[(2-iodoanilino)methyl]phenol has a molecular weight of 359.59 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-iodoanilino)methyl]phenol is sourced from PubChem (CID 113276494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).