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

C8H7BrClF2NO — CID 130075216

IUPAC[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(Cl)c1CBr
InChIInChI=1S/C8H7BrClF2NO/c9-1-4-6(3-14)13-2-5(7(4)10)8(11)12/h2,8,14H,1,3H2
InChIKeyOLOVTZIDYWKNOM-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.06
Rot. Bonds3

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

[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130075216) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is [3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130075216
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(Cl)c1CBr
InChIInChI=1S/C8H7BrClF2NO/c9-1-4-6(3-14)13-2-5(7(4)10)8(11)12/h2,8,14H,1,3H2
InChIKeyOLOVTZIDYWKNOM-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
CID 130081823
[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070609
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 130074319
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
CID 130073890
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353
2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 130102690
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130090443
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol (CID 130075216) is [3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol is OCc1ncc(C(F)F)c(Cl)c1CBr.
What is the InChIKey of [3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is OLOVTZIDYWKNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/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 [3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol?
[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 286.50 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130075216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).