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

C8H8BrF2NO — CID 130069331

IUPAC[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
SMILESCc1c(C(F)F)cc(Br)nc1CO
InChIInChI=1S/C8H8BrF2NO/c1-4-5(8(10)11)2-7(9)12-6(4)3-13/h2,8,13H,3H2,1H3
InChIKeyAMIAGQOOFLQBSD-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.58
Rot. Bonds2

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

[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol (PubChem CID 130069331) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is [6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
PubChem CID130069331
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
SMILESCc1c(C(F)F)cc(Br)nc1CO
InChIInChI=1S/C8H8BrF2NO/c1-4-5(8(10)11)2-7(9)12-6(4)3-13/h2,8,13H,3H2,1H3
InChIKeyAMIAGQOOFLQBSD-UHFFFAOYSA-N
XLogP2.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357
6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130068624
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
[6-bromo-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 119000833
methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134676395
6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070493
[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
[4-(difluoromethyl)-6-methoxy-5-methyl-2-pyridinyl]methanol
CID 118806611
[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911
[6-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]methanol
CID 130081090

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
The IUPAC name of [6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol (CID 130069331) is [6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
The canonical SMILES for [6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol is Cc1c(C(F)F)cc(Br)nc1CO.
What is the InChIKey of [6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
The InChIKey is AMIAGQOOFLQBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-5(8(10)11)2-7(9)12-6(4)3-13/h2,8,13H,3H2,1H3.
What are the key properties of [6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol has a molecular weight of 252.06 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 130069331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).