(1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol

C9H13NO — CID 130987526

IUPAC(1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol
SMILESCc1cc(C)c([C@H](C)O)cn1
InChIInChI=1S/C9H13NO/c1-6-4-7(2)10-5-9(6)8(3)11/h4-5,8,11H,1-3H3/t8-/m0/s1
InChIKeyNXTOPGUYVQVSQN-QMMMGPOBSA-N
MW151.21 g/mol
LogP1.75
Rot. Bonds1

About (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol

(1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol (PubChem CID 130987526) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol
PubChem CID130987526
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol
SMILESCc1cc(C)c([C@H](C)O)cn1
InChIInChI=1S/C9H13NO/c1-6-4-7(2)10-5-9(6)8(3)11/h4-5,8,11H,1-3H3/t8-/m0/s1
InChIKeyNXTOPGUYVQVSQN-QMMMGPOBSA-N
XLogP1.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-methyl-6-(methylamino)-3-pyridinyl]ethanol
CID 124501728
(1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol
CID 124501692
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 124501974
1-(4-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102545457
1-(6-fluoro-2,4-dimethylquinolin-8-yl)ethanol
CID 82575954
2-bromo-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
CID 18967827
2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
CID 83827929
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
CID 174101928
CID 174101928
1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 78930822
propan-2-yl 4,6-dimethylpyridine-3-carboxylate
CID 121321019

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol?
The IUPAC name of (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol (CID 130987526) is (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol is Cc1cc(C)c([C@H](C)O)cn1.
What is the InChIKey of (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol?
The InChIKey is NXTOPGUYVQVSQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-7(2)10-5-9(6)8(3)11/h4-5,8,11H,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol?
(1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol has a molecular weight of 151.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,6-dimethyl-3-pyridinyl)ethanol is sourced from PubChem (CID 130987526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).