5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid

C9H10ClNO3 — CID 18070582

IUPAC5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
SMILESCC(C)Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-5(2)14-8-7(10)3-6(4-11-8)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyPZDIVDDFLGKWID-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.22
Rot. Bonds3

About 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid

5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid (PubChem CID 18070582) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
PubChem CID18070582
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
SMILESCC(C)Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-5(2)14-8-7(10)3-6(4-11-8)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyPZDIVDDFLGKWID-UHFFFAOYSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid (CID 18070582) is 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid is CC(C)Oc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid?
The InChIKey is PZDIVDDFLGKWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-5(2)14-8-7(10)3-6(4-11-8)9(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid?
5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid has a molecular weight of 215.64 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid is sourced from PubChem (CID 18070582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).