[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol

C8H7Br2F2NO — CID 130070291

IUPAC[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(Br)c1CBr
InChIInChI=1S/C8H7Br2F2NO/c9-1-4-6(3-14)13-2-5(7(4)10)8(11)12/h2,8,14H,1,3H2
InChIKeyXKTRETOWNIQWCA-UHFFFAOYSA-N
MW330.95 g/mol
LogP3.17
Rot. Bonds3

About [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol

[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130070291) has the molecular formula C8H7Br2F2NO and a molecular weight of 330.95 g/mol. Its IUPAC name is [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130070291
Molecular FormulaC8H7Br2F2NO
Molecular Weight330.95 g/mol
Exact Mass328.89
IUPAC Name[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(Br)c1CBr
InChIInChI=1S/C8H7Br2F2NO/c9-1-4-6(3-14)13-2-5(7(4)10)8(11)12/h2,8,14H,1,3H2
InChIKeyXKTRETOWNIQWCA-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.95
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070609
[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130075216
ethyl 2-[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134685366
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
CID 130081823
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070201
2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201
methyl 2-[2-(aminomethyl)-4-bromo-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134676012
2-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol (CID 130070291) is [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol is OCc1ncc(C(F)F)c(Br)c1CBr.
What is the InChIKey of [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is XKTRETOWNIQWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F2NO/c9-1-4-6(3-14)13-2-5(7(4)10)8(11)12/h2,8,14H,1,3H2.
What are the key properties of [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 330.95 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130070291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).