[5-(3-methylpentan-3-yl)-2-pyridinyl]methanol

C12H19NO — CID 155392603

IUPAC[5-(3-methylpentan-3-yl)-2-pyridinyl]methanol
SMILESCCC(C)(CC)c1ccc(CO)nc1
InChIInChI=1S/C12H19NO/c1-4-12(3,5-2)10-6-7-11(9-14)13-8-10/h6-8,14H,4-5,9H2,1-3H3
InChIKeyDRRIQADLMXDERO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.65
Rot. Bonds4

About [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol

[5-(3-methylpentan-3-yl)-2-pyridinyl]methanol (PubChem CID 155392603) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(3-methylpentan-3-yl)-2-pyridinyl]methanol
PubChem CID155392603
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[5-(3-methylpentan-3-yl)-2-pyridinyl]methanol
SMILESCCC(C)(CC)c1ccc(CO)nc1
InChIInChI=1S/C12H19NO/c1-4-12(3,5-2)10-6-7-11(9-14)13-8-10/h6-8,14H,4-5,9H2,1-3H3
InChIKeyDRRIQADLMXDERO-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-tert-butylphenyl)-2-pyridinyl]methanol
CID 139170729
[5-(trifluoromethyl)-2-pyridinyl]methanol sulfate
CID 18983902
(5-methyl-2-pyridinyl)methanol;hydrochloride
CID 91620369
5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 176964984
5-tert-butyl-2-prop-2-ynylpyridine
CID 135295966
6-(hydroxymethyl)pyridin-3-ol;hydrochloride
CID 18758423
5-tert-butyl-2-(2-methylprop-2-enyl)pyridine
CID 170125619
N',N'-dimethyl-N-[5-(3-methylpentan-3-yl)-2-pyridinyl]propane-1,3-diamine
CID 70962983
1-iodo-4-(3-methylpentan-3-yl)benzene
CID 170407993
4-(3-methylpentan-3-yl)benzenethiol
CID 129033225
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 63201095

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol?
The IUPAC name of [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol (CID 155392603) is [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol?
The canonical SMILES for [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol is CCC(C)(CC)c1ccc(CO)nc1.
What is the InChIKey of [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol?
The InChIKey is DRRIQADLMXDERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(3,5-2)10-6-7-11(9-14)13-8-10/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol?
[5-(3-methylpentan-3-yl)-2-pyridinyl]methanol has a molecular weight of 193.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylpentan-3-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 155392603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).