[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol

C7H5ClF2INO — CID 130073280

IUPAC[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol
SMILESOCc1cc(Cl)c(C(F)F)nc1I
InChIInChI=1S/C7H5ClF2INO/c8-4-1-3(2-13)7(11)12-5(4)6(9)10/h1,6,13H,2H2
InChIKeyPPKMTZTYXLLYNO-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.77
Rot. Bonds2

About [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol

[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol (PubChem CID 130073280) has the molecular formula C7H5ClF2INO and a molecular weight of 319.48 g/mol. Its IUPAC name is [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol
PubChem CID130073280
Molecular FormulaC7H5ClF2INO
Molecular Weight319.48 g/mol
Exact Mass318.91
IUPAC Name[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol
SMILESOCc1cc(Cl)c(C(F)F)nc1I
InChIInChI=1S/C7H5ClF2INO/c8-4-1-3(2-13)7(11)12-5(4)6(9)10/h1,6,13H,2H2
InChIKeyPPKMTZTYXLLYNO-UHFFFAOYSA-N
XLogP2.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.77
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

[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
CID 130074786
[2-chloro-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118990772
[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
CID 118845138
3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
[2-amino-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118993177
[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 119006322
[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130102831
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075329
[6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol
CID 130105451

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol (CID 130073280) is [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol is OCc1cc(Cl)c(C(F)F)nc1I.
What is the InChIKey of [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol?
The InChIKey is PPKMTZTYXLLYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO/c8-4-1-3(2-13)7(11)12-5(4)6(9)10/h1,6,13H,2H2.
What are the key properties of [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol?
[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol has a molecular weight of 319.48 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol is sourced from PubChem (CID 130073280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).