2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C15H14BrN3O2 — CID 136569350

IUPAC2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCC1c1cncc(Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-11-7-10(8-17-9-11)13-4-2-6-19(13)14-12(15(20)21)3-1-5-18-14/h1,3,5,7-9,13H,2,4,6H2,(H,20,21)
InChIKeyUEYRCCWJRROLDH-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.28
Rot. Bonds3

About 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 136569350) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID136569350
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCC1c1cncc(Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-11-7-10(8-17-9-11)13-4-2-6-19(13)14-12(15(20)21)3-1-5-18-14/h1,3,5,7-9,13H,2,4,6H2,(H,20,21)
InChIKeyUEYRCCWJRROLDH-UHFFFAOYSA-N
XLogP3.28
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 40637940
2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386
8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 138019708
3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine
CID 166308747
5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine
CID 112697443
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 154794501
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine
CID 105367698
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 167934366
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 136569350) is 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCCC1c1cncc(Br)c1.
What is the InChIKey of 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is UEYRCCWJRROLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-11-7-10(8-17-9-11)13-4-2-6-19(13)14-12(15(20)21)3-1-5-18-14/h1,3,5,7-9,13H,2,4,6H2,(H,20,21).
What are the key properties of 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 348.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 136569350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).