6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid

C16H16ClNO3 — CID 107664122

IUPAC6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
SMILESCCC(C)c1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-3-10(2)11-4-6-13(7-5-11)21-15-14(17)8-12(9-18-15)16(19)20/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyHXHHGIHQIXTXRE-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.74
Rot. Bonds5

About 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid

6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid (PubChem CID 107664122) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
PubChem CID107664122
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
SMILESCCC(C)c1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-3-10(2)11-4-6-13(7-5-11)21-15-14(17)8-12(9-18-15)16(19)20/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyHXHHGIHQIXTXRE-UHFFFAOYSA-N
XLogP4.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
CID 60903616
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid
CID 43144816
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 104629426
2-(4-butan-2-ylphenoxy)-6-chlorobenzoic acid
CID 107665757
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 107669596

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid?
The IUPAC name of 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid (CID 107664122) is 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid is CCC(C)c1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1.
What is the InChIKey of 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid?
The InChIKey is HXHHGIHQIXTXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-3-10(2)11-4-6-13(7-5-11)21-15-14(17)8-12(9-18-15)16(19)20/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid?
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 107664122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).