[2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol

C7H5F3INO — CID 130783137

IUPAC[2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(I)nc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3INO/c8-7(9,10)5-1-4(3-13)2-6(11)12-5/h1-2,13H,3H2
InChIKeyUZYLSKZHGCPLDH-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.20
Rot. Bonds1

About [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol

[2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 130783137) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID130783137
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name[2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(I)nc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3INO/c8-7(9,10)5-1-4(3-13)2-6(11)12-5/h1-2,13H,3H2
InChIKeyUZYLSKZHGCPLDH-UHFFFAOYSA-N
XLogP2.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.20
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

sodium;boranuide;[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 160647175
2-iodo-6-(trifluoromethyl)pyridin-4-amine
CID 118801119
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
CID 119004261
4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118703946
[2-(hydroxymethyl)-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid
CID 122516804
[5-iodo-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 130783139
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134677424
[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881273
2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 134620511
[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol
CID 134638808
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane
CID 162523537

Frequently Asked Questions

What is the IUPAC name of [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol (CID 130783137) is [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol is OCc1cc(I)nc(C(F)(F)F)c1.
What is the InChIKey of [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is UZYLSKZHGCPLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c8-7(9,10)5-1-4(3-13)2-6(11)12-5/h1-2,13H,3H2.
What are the key properties of [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol?
[2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 303.02 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 130783137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).