[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol

C8H5F5INO — CID 130087693

IUPAC[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)cc(C(F)F)nc1I
InChIInChI=1S/C8H5F5INO/c9-6(10)5-1-4(8(11,12)13)3(2-16)7(14)15-5/h1,6,16H,2H2
InChIKeyYPGLGVZDIFVLIA-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.13
Rot. Bonds2

About [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol

[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 130087693) has the molecular formula C8H5F5INO and a molecular weight of 353.03 g/mol. Its IUPAC name is [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID130087693
Molecular FormulaC8H5F5INO
Molecular Weight353.03 g/mol
Exact Mass352.93
IUPAC Name[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)cc(C(F)F)nc1I
InChIInChI=1S/C8H5F5INO/c9-6(10)5-1-4(8(11,12)13)3(2-16)7(14)15-5/h1,6,16H,2H2
InChIKeyYPGLGVZDIFVLIA-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 53.13
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

methyl 2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100700
[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
CID 130087148
6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 130077456
6-(difluoromethyl)-2-iodo-3-(trifluoromethyl)pyridine
CID 130096769
6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridin-2-amine
CID 119007069
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
6-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130087725
[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 133104348
[6-(difluoromethyl)-2,4-dimethyl-3-pyridinyl]methanol
CID 130101372
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133084710
3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130087013

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol (CID 130087693) is [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol is OCc1c(C(F)(F)F)cc(C(F)F)nc1I.
What is the InChIKey of [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is YPGLGVZDIFVLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO/c9-6(10)5-1-4(8(11,12)13)3(2-16)7(14)15-5/h1,6,16H,2H2.
What are the key properties of [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol?
[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 353.03 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 130087693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).