(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol

C13H7Cl2F3INO — CID 106971991

IUPAC(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(I)c(Cl)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H7Cl2F3INO/c14-8-5-6(1-3-9(8)19)11(21)7-2-4-10(13(16,17)18)20-12(7)15/h1-5,11,21H
InChIKeySUFWXEXPBLVKFP-UHFFFAOYSA-N
MW448.01 g/mol
LogP5.09
Rot. Bonds2

About (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol

(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 106971991) has the molecular formula C13H7Cl2F3INO and a molecular weight of 448.01 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID106971991
Molecular FormulaC13H7Cl2F3INO
Molecular Weight448.01 g/mol
Exact Mass446.89
IUPAC Name(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(I)c(Cl)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H7Cl2F3INO/c14-8-5-6(1-3-9(8)19)11(21)7-2-4-10(13(16,17)18)20-12(7)15/h1-5,11,21H
InChIKeySUFWXEXPBLVKFP-UHFFFAOYSA-N
XLogP5.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.01
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
CID 106971514
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971706
(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol
CID 103216802
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085
(4-bromo-5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971715
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol
CID 106971722

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 106971991) is (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1ccc(I)c(Cl)c1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is SUFWXEXPBLVKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3INO/c14-8-5-6(1-3-9(8)19)11(21)7-2-4-10(13(16,17)18)20-12(7)15/h1-5,11,21H.
What are the key properties of (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 448.01 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 106971991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).