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

C7H5BrF2INO — CID 119008071

IUPAC[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
SMILESOCc1cc(I)c(C(F)F)c(Br)n1
InChIInChI=1S/C7H5BrF2INO/c8-6-5(7(9)10)4(11)1-3(2-13)12-6/h1,7,13H,2H2
InChIKeyNFGXHTLHEJIBGP-UHFFFAOYSA-N
MW363.93 g/mol
LogP2.88
Rot. Bonds2

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

[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol (PubChem CID 119008071) has the molecular formula C7H5BrF2INO and a molecular weight of 363.93 g/mol. Its IUPAC name is [6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
PubChem CID119008071
Molecular FormulaC7H5BrF2INO
Molecular Weight363.93 g/mol
Exact Mass362.86
IUPAC Name[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
SMILESOCc1cc(I)c(C(F)F)c(Br)n1
InChIInChI=1S/C7H5BrF2INO/c8-6-5(7(9)10)4(11)1-3(2-13)12-6/h1,7,13H,2H2
InChIKeyNFGXHTLHEJIBGP-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 52.88
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

[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 119022962
2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
CID 130100418
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
CID 118803957
[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 118838629
[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
CID 118845138
[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086168
[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine
CID 130073082
[6-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130073268
[4-(difluoromethyl)-5-iodo-6-methyl-2-pyridinyl]methanol
CID 118800735
[6-bromo-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118999574
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
CID 119006944

Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol?
The IUPAC name of [6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol (CID 119008071) is [6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol?
The canonical SMILES for [6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol is OCc1cc(I)c(C(F)F)c(Br)n1.
What is the InChIKey of [6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol?
The InChIKey is NFGXHTLHEJIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2INO/c8-6-5(7(9)10)4(11)1-3(2-13)12-6/h1,7,13H,2H2.
What are the key properties of [6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol?
[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol has a molecular weight of 363.93 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol is sourced from PubChem (CID 119008071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).