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

C7H5ClF2INO — CID 118845138

IUPAC[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
SMILESOCc1cc(Cl)c(C(F)F)c(I)n1
InChIInChI=1S/C7H5ClF2INO/c8-4-1-3(2-13)12-7(11)5(4)6(9)10/h1,6,13H,2H2
InChIKeyPEADUDMAFLORAN-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.77
Rot. Bonds2

About [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol

[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol (PubChem CID 118845138) has the molecular formula C7H5ClF2INO and a molecular weight of 319.48 g/mol. Its IUPAC name is [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
PubChem CID118845138
Molecular FormulaC7H5ClF2INO
Molecular Weight319.48 g/mol
Exact Mass318.91
IUPAC Name[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
SMILESOCc1cc(Cl)c(C(F)F)c(I)n1
InChIInChI=1S/C7H5ClF2INO/c8-4-1-3(2-13)12-7(11)5(4)6(9)10/h1,6,13H,2H2
InChIKeyPEADUDMAFLORAN-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-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086168
[4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118839527
[6-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130073268
[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
CID 119008071
4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 118839528
[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol
CID 130073280
[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118806568
[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 119022962
[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 118838629
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004
[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine
CID 130085953
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol?
The IUPAC name of [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol (CID 118845138) is [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol.
What is the SMILES notation for [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol?
The canonical SMILES for [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol is OCc1cc(Cl)c(C(F)F)c(I)n1.
What is the InChIKey of [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol?
The InChIKey is PEADUDMAFLORAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO/c8-4-1-3(2-13)12-7(11)5(4)6(9)10/h1,6,13H,2H2.
What are the key properties of [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol?
[4-chloro-5-(difluoromethyl)-6-iodo-2-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 [4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol is sourced from PubChem (CID 118845138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).