(3-pentyl-2-pyridinyl)methanol

C11H17NO — CID 166644621

IUPAC(3-pentyl-2-pyridinyl)methanol
SMILESCCCCCc1cccnc1CO
InChIInChI=1S/C11H17NO/c1-2-3-4-6-10-7-5-8-12-11(10)9-13/h5,7-8,13H,2-4,6,9H2,1H3
InChIKeyXJGMRUPFWBQVRX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.31
Rot. Bonds5

About (3-pentyl-2-pyridinyl)methanol

(3-pentyl-2-pyridinyl)methanol (PubChem CID 166644621) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3-pentyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-pentyl-2-pyridinyl)methanol
PubChem CID166644621
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3-pentyl-2-pyridinyl)methanol
SMILESCCCCCc1cccnc1CO
InChIInChI=1S/C11H17NO/c1-2-3-4-6-10-7-5-8-12-11(10)9-13/h5,7-8,13H,2-4,6,9H2,1H3
InChIKeyXJGMRUPFWBQVRX-UHFFFAOYSA-N
XLogP2.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-3-ethylpyridine
CID 160514040
3-heptyl-2-methylpyridine
CID 134369519
2-chloro-3-pentylpyridine
CID 54505218
2-chloro-3-dodecylpyridine
CID 54546812
[3-(2-phenylethyl)-2-pyridinyl]methanol
CID 22914797
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
3-dodecyl-2-methylpyridine;hydrochloride
CID 175157533
2-chloro-3-hexylpyridine
CID 54056214
2,3-dipropylpyridine
CID 19593488
2-bromo-3-dodecylpyridine;hydrate
CID 162319717
(2-octylphenyl)methanol
CID 19826681
3-methoxy-2-octylpyridine
CID 102048148

Frequently Asked Questions

What is the IUPAC name of (3-pentyl-2-pyridinyl)methanol?
The IUPAC name of (3-pentyl-2-pyridinyl)methanol (CID 166644621) is (3-pentyl-2-pyridinyl)methanol.
What is the SMILES notation for (3-pentyl-2-pyridinyl)methanol?
The canonical SMILES for (3-pentyl-2-pyridinyl)methanol is CCCCCc1cccnc1CO.
What is the InChIKey of (3-pentyl-2-pyridinyl)methanol?
The InChIKey is XJGMRUPFWBQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-4-6-10-7-5-8-12-11(10)9-13/h5,7-8,13H,2-4,6,9H2,1H3.
What are the key properties of (3-pentyl-2-pyridinyl)methanol?
(3-pentyl-2-pyridinyl)methanol has a molecular weight of 179.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentyl-2-pyridinyl)methanol is sourced from PubChem (CID 166644621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).