(S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol

C12H15BrFNO — CID 52908319

IUPAC(S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol
SMILESO[C@H](c1c(F)cncc1Br)C1CCCCC1
InChIInChI=1S/C12H15BrFNO/c13-9-6-15-7-10(14)11(9)12(16)8-4-2-1-3-5-8/h6-8,12,16H,1-5H2/t12-/m0/s1
InChIKeyGNFNLOGQSXGZQQ-LBPRGKRZSA-N
MW288.16 g/mol
LogP3.60
Rot. Bonds2

About (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol

(S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol (PubChem CID 52908319) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol.

Molecular Properties

Compound Name(S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol
PubChem CID52908319
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name(S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol
SMILESO[C@H](c1c(F)cncc1Br)C1CCCCC1
InChIInChI=1S/C12H15BrFNO/c13-9-6-15-7-10(14)11(9)12(16)8-4-2-1-3-5-8/h6-8,12,16H,1-5H2/t12-/m0/s1
InChIKeyGNFNLOGQSXGZQQ-LBPRGKRZSA-N
XLogP3.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol
CID 54592858
cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115840535
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
CID 114885757
(3-bromo-5-fluorophenyl)-cyclohexylmethanol
CID 66425421
(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol
CID 171366108
cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol
CID 122609510
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(4-bromothiophen-3-yl)-cyclohexylmethanol
CID 79596363
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol?
The IUPAC name of (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol (CID 52908319) is (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol.
What is the SMILES notation for (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol?
The canonical SMILES for (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol is O[C@H](c1c(F)cncc1Br)C1CCCCC1.
What is the InChIKey of (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol?
The InChIKey is GNFNLOGQSXGZQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-9-6-15-7-10(14)11(9)12(16)8-4-2-1-3-5-8/h6-8,12,16H,1-5H2/t12-/m0/s1.
What are the key properties of (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol?
(S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol has a molecular weight of 288.16 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol is sourced from PubChem (CID 52908319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).