(6-hexyl-3-methyl-2-pyridinyl)methanediol

C13H21NO2 — CID 163986915

IUPAC(6-hexyl-3-methyl-2-pyridinyl)methanediol
SMILESCCCCCCc1ccc(C)c(C(O)O)n1
InChIInChI=1S/C13H21NO2/c1-3-4-5-6-7-11-9-8-10(2)12(14-11)13(15)16/h8-9,13,15-16H,3-7H2,1-2H3
InChIKeyTXDIUJXNSSCUKA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.50
Rot. Bonds6

About (6-hexyl-3-methyl-2-pyridinyl)methanediol

(6-hexyl-3-methyl-2-pyridinyl)methanediol (PubChem CID 163986915) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (6-hexyl-3-methyl-2-pyridinyl)methanediol.

Molecular Properties

Compound Name(6-hexyl-3-methyl-2-pyridinyl)methanediol
PubChem CID163986915
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(6-hexyl-3-methyl-2-pyridinyl)methanediol
SMILESCCCCCCc1ccc(C)c(C(O)O)n1
InChIInChI=1S/C13H21NO2/c1-3-4-5-6-7-11-9-8-10(2)12(14-11)13(15)16/h8-9,13,15-16H,3-7H2,1-2H3
InChIKeyTXDIUJXNSSCUKA-UHFFFAOYSA-N
XLogP2.50
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (6-hexyl-3-methyl-2-pyridinyl)methanediol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-didodecylpyridine
CID 90943274
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-tridecylpyridine
CID 572285
2,6-dipentylpyridine
CID 58097448
2-hexadecyl-6-methylquinoline
CID 4997368
4-methyl-2,6-dioctylpyridine
CID 66935754
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4,6-didodecyl-2-methylpyrimidine
CID 66935955
2-hexyl-3,6-dimethylpyridine
CID 23386704
3-hexyl-4-methylbenzene-1,2-diol
CID 174877498
2,3-dihexylbenzene-1,4-diol
CID 69329716
3-ethyl-4-methyl-2-nonylphenol
CID 66865942

Frequently Asked Questions

What is the IUPAC name of (6-hexyl-3-methyl-2-pyridinyl)methanediol?
The IUPAC name of (6-hexyl-3-methyl-2-pyridinyl)methanediol (CID 163986915) is (6-hexyl-3-methyl-2-pyridinyl)methanediol.
What is the SMILES notation for (6-hexyl-3-methyl-2-pyridinyl)methanediol?
The canonical SMILES for (6-hexyl-3-methyl-2-pyridinyl)methanediol is CCCCCCc1ccc(C)c(C(O)O)n1.
What is the InChIKey of (6-hexyl-3-methyl-2-pyridinyl)methanediol?
The InChIKey is TXDIUJXNSSCUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-4-5-6-7-11-9-8-10(2)12(14-11)13(15)16/h8-9,13,15-16H,3-7H2,1-2H3.
What are the key properties of (6-hexyl-3-methyl-2-pyridinyl)methanediol?
(6-hexyl-3-methyl-2-pyridinyl)methanediol has a molecular weight of 223.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hexyl-3-methyl-2-pyridinyl)methanediol is sourced from PubChem (CID 163986915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).