5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid

C14H20ClNO3 — CID 43127392

IUPAC5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid
SMILESCCCCCCC(C)Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C14H20ClNO3/c1-3-4-5-6-7-10(2)19-13-12(15)8-11(9-16-13)14(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyLOXIVOLUZALLHD-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.17
Rot. Bonds8

About 5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid

5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid (PubChem CID 43127392) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid
PubChem CID43127392
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid
SMILESCCCCCCC(C)Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C14H20ClNO3/c1-3-4-5-6-7-10(2)19-13-12(15)8-11(9-16-13)14(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyLOXIVOLUZALLHD-UHFFFAOYSA-N
XLogP4.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.17
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

6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
CID 60903616
(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
CID 61255716
5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
CID 55224530
3-octan-2-yloxypyrazine-2-carboxylic acid
CID 55107810
6-(3-fluoro-4-octan-2-yloxybenzoyl)oxypyridine-3-carboxylic acid
CID 139746457
5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid
CID 63686910
(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol
CID 114034696
1-(3,4-dichlorophenyl)-2-octan-2-yloxyethanone
CID 43800020
5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid
CID 115505424
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 43187338
4-(chloromethyl)-1-octan-2-yloxyisoquinoline
CID 106769438
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid (CID 43127392) is 5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid is CCCCCCC(C)Oc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid?
The InChIKey is LOXIVOLUZALLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-3-4-5-6-7-10(2)19-13-12(15)8-11(9-16-13)14(17)18/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid?
5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid has a molecular weight of 285.77 g/mol, XLogP of 4.17, 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-yloxypyridine-3-carboxylic acid is sourced from PubChem (CID 43127392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).