1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid

C10H11Cl2N3O2 — CID 130226974

IUPAC1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H11Cl2N3O2/c11-7-5-8(14-10(12)13-7)15-4-2-1-3-6(15)9(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyLEVFZTQKRYOHGY-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.23
Rot. Bonds2

About 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid

1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 130226974) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID130226974
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H11Cl2N3O2/c11-7-5-8(14-10(12)13-7)15-4-2-1-3-6(15)9(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyLEVFZTQKRYOHGY-UHFFFAOYSA-N
XLogP2.23
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid (CID 130226974) is 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1cc(Cl)nc(Cl)n1.
What is the InChIKey of 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is LEVFZTQKRYOHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c11-7-5-8(14-10(12)13-7)15-4-2-1-3-6(15)9(16)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid?
1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 276.12 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 130226974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).