3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol

C12H19NO — CID 102878483

IUPAC3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol
SMILESCCC(Cc1cncc(C)c1)C(C)O
InChIInChI=1S/C12H19NO/c1-4-12(10(3)14)6-11-5-9(2)7-13-8-11/h5,7-8,10,12,14H,4,6H2,1-3H3
InChIKeyAUIZKRKSTBKTCB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.34
Rot. Bonds4

About 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol

3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol (PubChem CID 102878483) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol.

Molecular Properties

Compound Name3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol
PubChem CID102878483
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol
SMILESCCC(Cc1cncc(C)c1)C(C)O
InChIInChI=1S/C12H19NO/c1-4-12(10(3)14)6-11-5-9(2)7-13-8-11/h5,7-8,10,12,14H,4,6H2,1-3H3
InChIKeyAUIZKRKSTBKTCB-UHFFFAOYSA-N
XLogP2.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
3-(3-bromo-2-methylpropyl)-5-methylpyridine
CID 115375378
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
CID 102881090
3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 103458369
(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
CID 162344222
3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 103905637
1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
CID 63562396
methyl 2-bromo-3-(5-methyl-3-pyridinyl)propanoate
CID 107586803
(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285
bromic acid;3-(bromomethyl)-5-methylpyridine
CID 159195329
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol?
The IUPAC name of 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol (CID 102878483) is 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol.
What is the SMILES notation for 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol?
The canonical SMILES for 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol is CCC(Cc1cncc(C)c1)C(C)O.
What is the InChIKey of 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol?
The InChIKey is AUIZKRKSTBKTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(10(3)14)6-11-5-9(2)7-13-8-11/h5,7-8,10,12,14H,4,6H2,1-3H3.
What are the key properties of 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol?
3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol is sourced from PubChem (CID 102878483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).