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

C8H7BrF2INO — CID 130087148

IUPAC[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
SMILESOCc1cc(C(F)F)nc(I)c1CBr
InChIInChI=1S/C8H7BrF2INO/c9-2-5-4(3-14)1-6(7(10)11)13-8(5)12/h1,7,14H,2-3H2
InChIKeyNEMKNNKOUZBQSX-UHFFFAOYSA-N
MW377.95 g/mol
LogP3.01
Rot. Bonds3

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

[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol (PubChem CID 130087148) has the molecular formula C8H7BrF2INO and a molecular weight of 377.95 g/mol. Its IUPAC name is [3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
PubChem CID130087148
Molecular FormulaC8H7BrF2INO
Molecular Weight377.95 g/mol
Exact Mass376.87
IUPAC Name[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
SMILESOCc1cc(C(F)F)nc(I)c1CBr
InChIInChI=1S/C8H7BrF2INO/c9-2-5-4(3-14)1-6(7(10)11)13-8(5)12/h1,7,14H,2-3H2
InChIKeyNEMKNNKOUZBQSX-UHFFFAOYSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.95
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
CID 130070073
[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 130087693
[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 118843989
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134660867
[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 133104348
methyl 2-[3-bromo-6-(difluoromethyl)-2-iodo-4-pyridinyl]acetate
CID 134684471
3-bromo-6-(difluoromethyl)-2,4-diiodopyridine
CID 130100414
[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
CID 130081815
[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
CID 130082233
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
2-[3-(bromomethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087094

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol?
The IUPAC name of [3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol (CID 130087148) is [3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol.
What is the SMILES notation for [3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol?
The canonical SMILES for [3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol is OCc1cc(C(F)F)nc(I)c1CBr.
What is the InChIKey of [3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol?
The InChIKey is NEMKNNKOUZBQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2INO/c9-2-5-4(3-14)1-6(7(10)11)13-8(5)12/h1,7,14H,2-3H2.
What are the key properties of [3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol?
[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol has a molecular weight of 377.95 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol is sourced from PubChem (CID 130087148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).