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

C8H7BrF3NO — CID 130081823

IUPAC[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
SMILESOCc1c(C(F)F)cnc(CBr)c1F
InChIInChI=1S/C8H7BrF3NO/c9-1-6-7(10)5(3-14)4(2-13-6)8(11)12/h2,8,14H,1,3H2
InChIKeyUDOPTDHEONREJK-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.55
Rot. Bonds3

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

[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol (PubChem CID 130081823) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is [2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
PubChem CID130081823
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
SMILESOCc1c(C(F)F)cnc(CBr)c1F
InChIInChI=1S/C8H7BrF3NO/c9-1-6-7(10)5(3-14)4(2-13-6)8(11)12/h2,8,14H,1,3H2
InChIKeyUDOPTDHEONREJK-UHFFFAOYSA-N
XLogP2.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.55
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

[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130075216
[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070291
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol
CID 130080191
6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201
6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide
CID 130098307
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
2-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790
ethyl 2-[2-(bromomethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104418

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol?
The IUPAC name of [2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol (CID 130081823) is [2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol.
What is the SMILES notation for [2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol?
The canonical SMILES for [2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol is OCc1c(C(F)F)cnc(CBr)c1F.
What is the InChIKey of [2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol?
The InChIKey is UDOPTDHEONREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-1-6-7(10)5(3-14)4(2-13-6)8(11)12/h2,8,14H,1,3H2.
What are the key properties of [2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol?
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol has a molecular weight of 270.05 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol is sourced from PubChem (CID 130081823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).