(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol

C16H16BrNO — CID 116505490

IUPAC(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1ccc(Br)cn1
InChIInChI=1S/C16H16BrNO/c17-14-8-9-15(18-10-14)16(19)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,16,19H,1-3H2
InChIKeyGRMPCBAUHPDHDI-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.19
Rot. Bonds3

About (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol

(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol (PubChem CID 116505490) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol
PubChem CID116505490
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1ccc(Br)cn1
InChIInChI=1S/C16H16BrNO/c17-14-8-9-15(18-10-14)16(19)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,16,19H,1-3H2
InChIKeyGRMPCBAUHPDHDI-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836232
(4-cyclobutylphenyl)-pyridazin-4-ylmethanol
CID 105129046
(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 115606173
(4-cyclopropylphenyl)-pyrazin-2-ylmethanol
CID 79980418
(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
CID 113230461
5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol
CID 160603404
(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 107947823
(5-bromo-2-pyridinyl)-pyrimidin-2-ylmethanol
CID 171846031
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 115606169
(4-bromo-3-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836272
(5-amino-1-methylpyrazol-4-yl)-(4-cyclobutylphenyl)methanol
CID 116505787

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol?
The IUPAC name of (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol (CID 116505490) is (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol is OC(c1ccc(C2CCC2)cc1)c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol?
The InChIKey is GRMPCBAUHPDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-14-8-9-15(18-10-14)16(19)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,16,19H,1-3H2.
What are the key properties of (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol?
(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol has a molecular weight of 318.21 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol is sourced from PubChem (CID 116505490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).