[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol

C10H10BrF2NO — CID 169267474

IUPAC[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol
SMILESOCC1(c2ccc(Br)cn2)CC(F)(F)C1
InChIInChI=1S/C10H10BrF2NO/c11-7-1-2-8(14-3-7)9(6-15)4-10(12,13)5-9/h1-3,15H,4-6H2
InChIKeyOAJKUEBDHMXQMW-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.50
Rot. Bonds2

About [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol

[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol (PubChem CID 169267474) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol
PubChem CID169267474
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol
SMILESOCC1(c2ccc(Br)cn2)CC(F)(F)C1
InChIInChI=1S/C10H10BrF2NO/c11-7-1-2-8(14-3-7)9(6-15)4-10(12,13)5-9/h1-3,15H,4-6H2
InChIKeyOAJKUEBDHMXQMW-UHFFFAOYSA-N
XLogP2.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine
CID 169267521
[1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride
CID 169448349
1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride
CID 71742170
5-bromo-2-(4-fluorothian-4-yl)pyridine
CID 170987099
1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid
CID 67973232
[1-(5-propan-2-yl-2-pyridinyl)cyclobutyl]methanol
CID 176650889
3-(5-bromo-2-pyridinyl)-1,1-dioxothietan-3-ol
CID 86713186
[1-(5-bromo-2-pyridinyl)cyclobutyl]carbamic acid
CID 138544182
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol
CID 71086058
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686
2-(3-azidooxetan-3-yl)-5-bromopyridine
CID 150881325

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol (CID 169267474) is [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol is OCC1(c2ccc(Br)cn2)CC(F)(F)C1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol?
The InChIKey is OAJKUEBDHMXQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c11-7-1-2-8(14-3-7)9(6-15)4-10(12,13)5-9/h1-3,15H,4-6H2.
What are the key properties of [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol?
[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol has a molecular weight of 278.10 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol is sourced from PubChem (CID 169267474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).