3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid

C11H14ClNO3 — CID 28996663

IUPAC3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
SMILESCCC(C)(C)Oc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C11H14ClNO3/c1-4-11(2,3)16-8-6-5-7(12)9(13-8)10(14)15/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyYYVLIMSFCKDISG-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.00
Rot. Bonds4

About 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid

3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid (PubChem CID 28996663) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
PubChem CID28996663
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
SMILESCCC(C)(C)Oc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C11H14ClNO3/c1-4-11(2,3)16-8-6-5-7(12)9(13-8)10(14)15/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyYYVLIMSFCKDISG-UHFFFAOYSA-N
XLogP3.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid
CID 63958296
3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
CID 29286211
3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 29080706
3-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 81342000
5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
CID 115491098
ethyl 3-chloro-6-methoxypyridine-2-carboxylate
CID 46311313
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
3-chloro-6-ethoxy-N-methylpyridine-2-carboxamide
CID 47377989
6-butylsulfanyl-3-chloropyridine-2-carboxylic acid
CID 43615633
3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 43571486
4-chloro-3-ethylbenzoic acid
CID 21412279
3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 60980382

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid (CID 28996663) is 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid is CCC(C)(C)Oc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid?
The InChIKey is YYVLIMSFCKDISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-4-11(2,3)16-8-6-5-7(12)9(13-8)10(14)15/h5-6H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid?
3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid has a molecular weight of 243.69 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 28996663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).