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

C11H14ClNO2 — CID 107139487

IUPAC(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
SMILESOC(c1ccncc1Cl)C1CCCOC1
InChIInChI=1S/C11H14ClNO2/c12-10-6-13-4-3-9(10)11(14)8-2-1-5-15-7-8/h3-4,6,8,11,14H,1-2,5,7H2
InChIKeyJTRNLCGLLBWHPL-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.19
Rot. Bonds2

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

(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol (PubChem CID 107139487) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
PubChem CID107139487
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
SMILESOC(c1ccncc1Cl)C1CCCOC1
InChIInChI=1S/C11H14ClNO2/c12-10-6-13-4-3-9(10)11(14)8-2-1-5-15-7-8/h3-4,6,8,11,14H,1-2,5,7H2
InChIKeyJTRNLCGLLBWHPL-UHFFFAOYSA-N
XLogP2.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
CID 105147557
(3-methoxy-4-pyridinyl)-(oxolan-3-yl)methanol
CID 105066290
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
4-[(3-chloro-4-pyridinyl)-hydroxymethyl]piperidine-1-carboxylic acid
CID 67406184
(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
CID 130633063
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone
CID 107138539
(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
CID 107135628

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(oxan-3-yl)methanol?
The IUPAC name of (3-chloro-4-pyridinyl)-(oxan-3-yl)methanol (CID 107139487) is (3-chloro-4-pyridinyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(oxan-3-yl)methanol?
The canonical SMILES for (3-chloro-4-pyridinyl)-(oxan-3-yl)methanol is OC(c1ccncc1Cl)C1CCCOC1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(oxan-3-yl)methanol?
The InChIKey is JTRNLCGLLBWHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-10-6-13-4-3-9(10)11(14)8-2-1-5-15-7-8/h3-4,6,8,11,14H,1-2,5,7H2.
What are the key properties of (3-chloro-4-pyridinyl)-(oxan-3-yl)methanol?
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol has a molecular weight of 227.69 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107139487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).