(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol

C12H17NO2 — CID 66273091

IUPAC(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
SMILESCc1ccncc1C(O)C1CCCOC1
InChIInChI=1S/C12H17NO2/c1-9-4-5-13-7-11(9)12(14)10-3-2-6-15-8-10/h4-5,7,10,12,14H,2-3,6,8H2,1H3
InChIKeyKORKJPIMIRUEOE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.85
Rot. Bonds2

About (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol

(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol (PubChem CID 66273091) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
PubChem CID66273091
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
SMILESCc1ccncc1C(O)C1CCCOC1
InChIInChI=1S/C12H17NO2/c1-9-4-5-13-7-11(9)12(14)10-3-2-6-15-8-10/h4-5,7,10,12,14H,2-3,6,8H2,1H3
InChIKeyKORKJPIMIRUEOE-UHFFFAOYSA-N
XLogP1.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
CID 107139487
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
CID 63899537
(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 66273752
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
CID 107135628
(3-methoxy-4-pyridinyl)-(oxolan-3-yl)methanol
CID 105066290
(2,4-difluoro-5-methylphenyl)-(oxan-3-yl)methanol
CID 79731520
(4-ethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 66273542
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol?
The IUPAC name of (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol (CID 66273091) is (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol?
The canonical SMILES for (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol is Cc1ccncc1C(O)C1CCCOC1.
What is the InChIKey of (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol?
The InChIKey is KORKJPIMIRUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-5-13-7-11(9)12(14)10-3-2-6-15-8-10/h4-5,7,10,12,14H,2-3,6,8H2,1H3.
What are the key properties of (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol?
(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol has a molecular weight of 207.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 66273091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).