(4-butoxy-2-pyridinyl)methanol

C10H15NO2 — CID 61256357

IUPAC(4-butoxy-2-pyridinyl)methanol
SMILESCCCCOc1ccnc(CO)c1
InChIInChI=1S/C10H15NO2/c1-2-3-6-13-10-4-5-11-9(7-10)8-12/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyMYMMSYPIBXOFHE-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.75
Rot. Bonds5

About (4-butoxy-2-pyridinyl)methanol

(4-butoxy-2-pyridinyl)methanol (PubChem CID 61256357) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (4-butoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-butoxy-2-pyridinyl)methanol
PubChem CID61256357
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(4-butoxy-2-pyridinyl)methanol
SMILESCCCCOc1ccnc(CO)c1
InChIInChI=1S/C10H15NO2/c1-2-3-6-13-10-4-5-11-9(7-10)8-12/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyMYMMSYPIBXOFHE-UHFFFAOYSA-N
XLogP1.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-pyridinyl]methanol
CID 168916688
[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256974
(4-octyl-2-pyridinyl)methanol
CID 156538031
(2,4-dipentoxyphenyl)methanol
CID 54794877
[4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol
CID 14902012
[4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol
CID 61257761
[4-(4-phenylphenoxy)-2-pyridinyl]methanol
CID 61255006
4-ethoxy-2-ethylpyridine
CID 59520086
[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61255053
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
4-decoxypyridine-2-carboxylic acid
CID 152529644
[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol
CID 61256108

Frequently Asked Questions

What is the IUPAC name of (4-butoxy-2-pyridinyl)methanol?
The IUPAC name of (4-butoxy-2-pyridinyl)methanol (CID 61256357) is (4-butoxy-2-pyridinyl)methanol.
What is the SMILES notation for (4-butoxy-2-pyridinyl)methanol?
The canonical SMILES for (4-butoxy-2-pyridinyl)methanol is CCCCOc1ccnc(CO)c1.
What is the InChIKey of (4-butoxy-2-pyridinyl)methanol?
The InChIKey is MYMMSYPIBXOFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-6-13-10-4-5-11-9(7-10)8-12/h4-5,7,12H,2-3,6,8H2,1H3.
What are the key properties of (4-butoxy-2-pyridinyl)methanol?
(4-butoxy-2-pyridinyl)methanol has a molecular weight of 181.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-2-pyridinyl)methanol is sourced from PubChem (CID 61256357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).