(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol

C9H13NO — CID 75406793

IUPAC(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
SMILESCc1cncc(C[C@H](C)O)c1
InChIInChI=1S/C9H13NO/c1-7-3-9(4-8(2)11)6-10-5-7/h3,5-6,8,11H,4H2,1-2H3/t8-/m0/s1
InChIKeySXWHPHVZJRYHFM-QMMMGPOBSA-N
MW151.21 g/mol
LogP1.31
Rot. Bonds2

About (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol

(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol (PubChem CID 75406793) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
PubChem CID75406793
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
SMILESCc1cncc(C[C@H](C)O)c1
InChIInChI=1S/C9H13NO/c1-7-3-9(4-8(2)11)6-10-5-7/h3,5-6,8,11H,4H2,1-2H3/t8-/m0/s1
InChIKeySXWHPHVZJRYHFM-QMMMGPOBSA-N
XLogP1.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol
CID 102878483
3-(3-bromo-2-methylpropyl)-5-methylpyridine
CID 115375378
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
CID 162344222
methyl 2-bromo-3-(5-methyl-3-pyridinyl)propanoate
CID 107586803
(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285
2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
CID 102877599
2-[(5-methyl-3-pyridinyl)methylsulfinyl]propanoic acid
CID 102878240
4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol
CID 115375350
2-[(5-methyl-3-pyridinyl)methyl]guanidine
CID 130772692
(2R)-2-amino-N-[(5-methyl-3-pyridinyl)methyl]propanamide
CID 131176705

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol?
The IUPAC name of (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol (CID 75406793) is (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol?
The canonical SMILES for (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol is Cc1cncc(C[C@H](C)O)c1.
What is the InChIKey of (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol?
The InChIKey is SXWHPHVZJRYHFM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-3-9(4-8(2)11)6-10-5-7/h3,5-6,8,11H,4H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol?
(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol has a molecular weight of 151.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 75406793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).