4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

C10H10Cl2N2O2 — CID 162361663

IUPAC4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1c(Cl)cc(Cl)nc1N1CCCC1
InChIInChI=1S/C10H10Cl2N2O2/c11-6-5-7(12)13-9(8(6)10(15)16)14-3-1-2-4-14/h5H,1-4H2,(H,15,16)
InChIKeyHECHNIHYGSLHBF-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.69
Rot. Bonds2

About 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (PubChem CID 162361663) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
PubChem CID162361663
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1c(Cl)cc(Cl)nc1N1CCCC1
InChIInChI=1S/C10H10Cl2N2O2/c11-6-5-7(12)13-9(8(6)10(15)16)14-3-1-2-4-14/h5H,1-4H2,(H,15,16)
InChIKeyHECHNIHYGSLHBF-UHFFFAOYSA-N
XLogP2.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.69
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 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (CID 162361663) is 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is O=C(O)c1c(Cl)cc(Cl)nc1N1CCCC1.
What is the InChIKey of 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is HECHNIHYGSLHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c11-6-5-7(12)13-9(8(6)10(15)16)14-3-1-2-4-14/h5H,1-4H2,(H,15,16).
What are the key properties of 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 261.11 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 162361663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).