(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol

C14H22ClNO2 — CID 61255716

IUPAC(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
SMILESCCCCCCC(C)Oc1ncc(CO)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-3-4-5-6-7-11(2)18-14-13(15)8-12(10-17)9-16-14/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyCFGITRYKAOZDGD-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.96
Rot. Bonds8

About (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol

(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol (PubChem CID 61255716) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
PubChem CID61255716
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
SMILESCCCCCCC(C)Oc1ncc(CO)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-3-4-5-6-7-11(2)18-14-13(15)8-12(10-17)9-16-14/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyCFGITRYKAOZDGD-UHFFFAOYSA-N
XLogP3.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.96
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

5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid
CID 43127392
(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol
CID 114034696
1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
CID 102986084
4-(chloromethyl)-1-octan-2-yloxyisoquinoline
CID 106769438
(5-octan-2-yloxypyrazin-2-yl)methanol
CID 107373154
4-chloro-5-methyl-6-octan-2-yloxypyrimidine
CID 55231392
2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine
CID 176889482
3-chloro-5-ethyl-2-propan-2-yloxypyridine
CID 90064685
3-chloro-5-(chloromethyl)-2-pentoxypyridine
CID 61267494
(3-chloro-4-pentan-2-yloxyphenyl)methanol
CID 107892219
N-[(5-chloro-6-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63487951
3-octan-2-yloxypyrazine-2-carboxylic acid
CID 55107810

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol?
The IUPAC name of (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol (CID 61255716) is (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol.
What is the SMILES notation for (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol?
The canonical SMILES for (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol is CCCCCCC(C)Oc1ncc(CO)cc1Cl.
What is the InChIKey of (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol?
The InChIKey is CFGITRYKAOZDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-4-5-6-7-11(2)18-14-13(15)8-12(10-17)9-16-14/h8-9,11,17H,3-7,10H2,1-2H3.
What are the key properties of (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol?
(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol has a molecular weight of 271.79 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol is sourced from PubChem (CID 61255716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).