6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid

C16H16ClNO3 — CID 43351972

IUPAC6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(=O)O)cn1
InChIInChI=1S/C16H16ClNO3/c1-9(2)12-7-14(10(3)6-13(12)17)21-15-5-4-11(8-18-15)16(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyDIVSRNYCUXALEH-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.66
Rot. Bonds4

About 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid

6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid (PubChem CID 43351972) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
PubChem CID43351972
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(=O)O)cn1
InChIInChI=1S/C16H16ClNO3/c1-9(2)12-7-14(10(3)6-13(12)17)21-15-5-4-11(8-18-15)16(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyDIVSRNYCUXALEH-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

[6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256523
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80631862
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
CID 83110707
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416095
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81342027
6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 65454117
3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
CID 61396298

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid (CID 43351972) is 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid is Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is DIVSRNYCUXALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-9(2)12-7-14(10(3)6-13(12)17)21-15-5-4-11(8-18-15)16(19)20/h4-9H,1-3H3,(H,19,20).
What are the key properties of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid?
6-(4-chloro-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 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 43351972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).