5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid

C16H16ClNO3 — CID 63459288

IUPAC5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C(C)C)cc1Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-9(2)11-5-4-10(3)14(7-11)21-15-13(17)6-12(8-18-15)16(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyIPHWVTWOONXACE-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.66
Rot. Bonds4

About 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid

5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid (PubChem CID 63459288) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
PubChem CID63459288
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C(C)C)cc1Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-9(2)11-5-4-10(3)14(7-11)21-15-13(17)6-12(8-18-15)16(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyIPHWVTWOONXACE-UHFFFAOYSA-N
XLogP4.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine
CID 102749594
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid
CID 138716369
5-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 62476910
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid (CID 63459288) is 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid is Cc1ccc(C(C)C)cc1Oc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is IPHWVTWOONXACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-9(2)11-5-4-10(3)14(7-11)21-15-13(17)6-12(8-18-15)16(19)20/h4-9H,1-3H3,(H,19,20).
What are the key properties of 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63459288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).