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

C8H7BrClF2NO — CID 130070585

IUPAC[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(C(F)F)cnc(CCl)c1Br
InChIInChI=1S/C8H7BrClF2NO/c9-7-5(3-14)4(8(11)12)2-13-6(7)1-10/h2,8,14H,1,3H2
InChIKeyKNQFIRKGCOCCAG-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.01
Rot. Bonds3

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

[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol (PubChem CID 130070585) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is [3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
PubChem CID130070585
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(C(F)F)cnc(CCl)c1Br
InChIInChI=1S/C8H7BrClF2NO/c9-7-5(3-14)4(8(11)12)2-13-6(7)1-10/h2,8,14H,1,3H2
InChIKeyKNQFIRKGCOCCAG-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-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070609
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201
ethyl 2-[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134662548
[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130090443
3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130070631
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
CID 130081823
[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070291
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
3-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-2-amine
CID 118998627
3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
CID 130079090
2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
CID 118809945
4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 118826919

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol (CID 130070585) is [3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol is OCc1c(C(F)F)cnc(CCl)c1Br.
What is the InChIKey of [3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol?
The InChIKey is KNQFIRKGCOCCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c9-7-5(3-14)4(8(11)12)2-13-6(7)1-10/h2,8,14H,1,3H2.
What are the key properties of [3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol?
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-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 [3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 130070585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).