[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol

C9H10BrF2NO — CID 118843989

IUPAC[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
SMILESCc1c(CO)cc(C(F)F)nc1CBr
InChIInChI=1S/C9H10BrF2NO/c1-5-6(4-14)2-7(9(11)12)13-8(5)3-10/h2,9,14H,3-4H2,1H3
InChIKeyUHABULXKTPPXCL-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.71
Rot. Bonds3

About [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol

[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol (PubChem CID 118843989) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
PubChem CID118843989
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
SMILESCc1c(CO)cc(C(F)F)nc1CBr
InChIInChI=1S/C9H10BrF2NO/c1-5-6(4-14)2-7(9(11)12)13-8(5)3-10/h2,9,14H,3-4H2,1H3
InChIKeyUHABULXKTPPXCL-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.71
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

[6-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]methanol
CID 130081090
[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
CID 130087148
[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
CID 130081815
[6-(difluoromethyl)-4-methoxy-3-methyl-2-pyridinyl]methanol
CID 130087896
ethyl 2-[2-(bromomethyl)-3-chloro-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134674555
2-[4-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetic acid
CID 130090627
[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070299
ethyl 2-[2-(bromomethyl)-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetate
CID 133106708
2-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118832704
[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
CID 130070073
ethyl 2-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134662497
2-[4-(bromomethyl)-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075453

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol?
The IUPAC name of [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol (CID 118843989) is [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol?
The canonical SMILES for [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol is Cc1c(CO)cc(C(F)F)nc1CBr.
What is the InChIKey of [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol?
The InChIKey is UHABULXKTPPXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5-6(4-14)2-7(9(11)12)13-8(5)3-10/h2,9,14H,3-4H2,1H3.
What are the key properties of [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol?
[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol has a molecular weight of 266.08 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 118843989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).