2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid

C10H10ClNO3 — CID 115036379

IUPAC2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCOC2)cnc1Cl
InChIInChI=1S/C10H10ClNO3/c11-9-8(10(13)14)3-7(4-12-9)6-1-2-15-5-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyCWRBECJZSZFQIR-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.94
Rot. Bonds2

About 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid

2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid (PubChem CID 115036379) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid
PubChem CID115036379
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCOC2)cnc1Cl
InChIInChI=1S/C10H10ClNO3/c11-9-8(10(13)14)3-7(4-12-9)6-1-2-15-5-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyCWRBECJZSZFQIR-UHFFFAOYSA-N
XLogP1.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid (CID 115036379) is 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid is O=C(O)c1cc(C2CCOC2)cnc1Cl.
What is the InChIKey of 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid?
The InChIKey is CWRBECJZSZFQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-9-8(10(13)14)3-7(4-12-9)6-1-2-15-5-6/h3-4,6H,1-2,5H2,(H,13,14).
What are the key properties of 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid?
2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115036379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).