2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid

C16H16ClNO3 — CID 107063252

IUPAC2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
SMILESCC(C)(C)c1ccccc1Oc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C16H16ClNO3/c1-16(2,3)11-6-4-5-7-12(11)21-14-13(17)10(15(19)20)8-9-18-14/h4-9H,1-3H3,(H,19,20)
InChIKeyPJDLMFVKNGDZES-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.52
Rot. Bonds3

About 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid

2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid (PubChem CID 107063252) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
PubChem CID107063252
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
SMILESCC(C)(C)c1ccccc1Oc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C16H16ClNO3/c1-16(2,3)11-6-4-5-7-12(11)21-14-13(17)10(15(19)20)8-9-18-14/h4-9H,1-3H3,(H,19,20)
InChIKeyPJDLMFVKNGDZES-UHFFFAOYSA-N
XLogP4.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid
CID 81228623
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
CID 107063434
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carboxylic acid
CID 107063382
3-(2-tert-butylphenoxy)-4-methylbenzoic acid
CID 105405734
[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol
CID 61255865

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid (CID 107063252) is 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid is CC(C)(C)c1ccccc1Oc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid?
The InChIKey is PJDLMFVKNGDZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-16(2,3)11-6-4-5-7-12(11)21-14-13(17)10(15(19)20)8-9-18-14/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid?
2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 107063252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).