6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid

C10H12ClN3O2 — CID 83852710

IUPAC6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C10H12ClN3O2/c11-8-6-7(9(15)16)12-10(13-8)14-4-2-1-3-5-14/h6H,1-5H2,(H,15,16)
InChIKeyZWXLLMHOFVCGEK-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.82
Rot. Bonds2

About 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid

6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid (PubChem CID 83852710) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
PubChem CID83852710
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C10H12ClN3O2/c11-8-6-7(9(15)16)12-10(13-8)14-4-2-1-3-5-14/h6H,1-5H2,(H,15,16)
InChIKeyZWXLLMHOFVCGEK-UHFFFAOYSA-N
XLogP1.82
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
CID 83852915
6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
CID 83852679
6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 11335230
4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
CID 63355532
4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 162361663
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334378
4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
CID 62319950
2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 84690742
N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322360

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid (CID 83852710) is 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid?
The InChIKey is ZWXLLMHOFVCGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-6-7(9(15)16)12-10(13-8)14-4-2-1-3-5-14/h6H,1-5H2,(H,15,16).
What are the key properties of 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid?
6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid has a molecular weight of 241.68 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83852710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).