1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid

C9H10BrN3O2 — CID 120964054

IUPAC1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C9H10BrN3O2/c10-7-3-11-9(12-4-7)13-2-1-6(5-13)8(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyDZIGFDLBSMVTPM-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.15
Rot. Bonds2

About 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid

1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 120964054) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID120964054
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc(Br)cn2)C1
InChIInChI=1S/C9H10BrN3O2/c10-7-3-11-9(12-4-7)13-2-1-6(5-13)8(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyDZIGFDLBSMVTPM-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106508
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 116976080
cyclohexyl 1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylate
CID 91041255
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975360
[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 11486272
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 150032550
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
[1-(5-bromopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961719

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 120964054) is 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ncc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is DZIGFDLBSMVTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-7-3-11-9(12-4-7)13-2-1-6(5-13)8(14)15/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 272.10 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120964054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).