(5-methyl-2-pyridinyl)methanolate

C7H8NO- — CID 153447855

IUPAC(5-methyl-2-pyridinyl)methanolate
SMILESCc1ccc(C[O-])nc1
InChIInChI=1S/C7H8NO/c1-6-2-3-7(5-9)8-4-6/h2-4H,5H2,1H3/q-1
InChIKeyCAKLNZVEUAWKNM-UHFFFAOYSA-N
MW122.15 g/mol
LogP0.25
Rot. Bonds1

About (5-methyl-2-pyridinyl)methanolate

(5-methyl-2-pyridinyl)methanolate (PubChem CID 153447855) has the molecular formula C7H8NO- and a molecular weight of 122.15 g/mol. Its IUPAC name is (5-methyl-2-pyridinyl)methanolate.

Molecular Properties

Compound Name(5-methyl-2-pyridinyl)methanolate
PubChem CID153447855
Molecular FormulaC7H8NO-
Molecular Weight122.15 g/mol
Exact Mass122.06
IUPAC Name(5-methyl-2-pyridinyl)methanolate
SMILESCc1ccc(C[O-])nc1
InChIInChI=1S/C7H8NO/c1-6-2-3-7(5-9)8-4-6/h2-4H,5H2,1H3/q-1
InChIKeyCAKLNZVEUAWKNM-UHFFFAOYSA-N
XLogP0.25
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
(5-methyl-2-pyridinyl)methanol;hydrochloride
CID 91620369
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
2-(5-methyl-2-pyridinyl)acetonitrile
CID 583430
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
5-methyl-2-(propan-2-yloxymethyl)pyridine
CID 164949259
2-(2-bromoprop-2-enyl)-5-methylpyridine
CID 24722180
5-methyl-2-(3-methylbutyl)pyridine;hydrochloride
CID 172742279
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951
N-methyl-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 58662142
2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine
CID 59265435

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridinyl)methanolate?
The IUPAC name of (5-methyl-2-pyridinyl)methanolate (CID 153447855) is (5-methyl-2-pyridinyl)methanolate.
What is the SMILES notation for (5-methyl-2-pyridinyl)methanolate?
The canonical SMILES for (5-methyl-2-pyridinyl)methanolate is Cc1ccc(C[O-])nc1.
What is the InChIKey of (5-methyl-2-pyridinyl)methanolate?
The InChIKey is CAKLNZVEUAWKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO/c1-6-2-3-7(5-9)8-4-6/h2-4H,5H2,1H3/q-1.
What are the key properties of (5-methyl-2-pyridinyl)methanolate?
(5-methyl-2-pyridinyl)methanolate has a molecular weight of 122.15 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridinyl)methanolate is sourced from PubChem (CID 153447855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).