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

C8H7BrClF2NO — CID 130070609

IUPAC[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(Br)c1CCl
InChIInChI=1S/C8H7BrClF2NO/c9-7-4(1-10)6(3-14)13-2-5(7)8(11)12/h2,8,14H,1,3H2
InChIKeyIJPUYMHGXXOZPD-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.01
Rot. Bonds3

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

[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130070609) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is [4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130070609
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(Br)c1CCl
InChIInChI=1S/C8H7BrClF2NO/c9-7-4(1-10)6(3-14)13-2-5(7)8(11)12/h2,8,14H,1,3H2
InChIKeyIJPUYMHGXXOZPD-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 ≤ 500286.50
LogP ≤ 53.01
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-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070291
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130090443
[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130075216
3-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-2-amine
CID 118998627
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201
2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130079114
3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130070631
methyl 2-[2-(aminomethyl)-4-bromo-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134676012
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol (CID 130070609) is [4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol is OCc1ncc(C(F)F)c(Br)c1CCl.
What is the InChIKey of [4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is IJPUYMHGXXOZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c9-7-4(1-10)6(3-14)13-2-5(7)8(11)12/h2,8,14H,1,3H2.
What are the key properties of [4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 286.50 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 [4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130070609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).