(3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid

C10H10BrFN2O2 — CID 150032550

IUPAC(3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(c2cc(F)c(Br)cn2)C1
InChIInChI=1S/C10H10BrFN2O2/c11-7-4-13-9(3-8(7)12)14-2-1-6(5-14)10(15)16/h3-4,6H,1-2,5H2,(H,15,16)/t6-/m0/s1
InChIKeyDHOOFZZGECKNTQ-LURJTMIESA-N
MW289.10 g/mol
LogP1.89
Rot. Bonds2

About (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid

(3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid (PubChem CID 150032550) has the molecular formula C10H10BrFN2O2 and a molecular weight of 289.10 g/mol. Its IUPAC name is (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
PubChem CID150032550
Molecular FormulaC10H10BrFN2O2
Molecular Weight289.10 g/mol
Exact Mass287.99
IUPAC Name(3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(c2cc(F)c(Br)cn2)C1
InChIInChI=1S/C10H10BrFN2O2/c11-7-4-13-9(3-8(7)12)14-2-1-6(5-14)10(15)16/h3-4,6H,1-2,5H2,(H,15,16)/t6-/m0/s1
InChIKeyDHOOFZZGECKNTQ-LURJTMIESA-N
XLogP1.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 114869038
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 122051206
(3S)-1-(2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 155285048
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
(3S)-1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 124596596
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
methyl (3S)-1-(5-bromo-6-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 154635467
1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048451
(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid
CID 28875677

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid (CID 150032550) is (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(c2cc(F)c(Br)cn2)C1.
What is the InChIKey of (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The InChIKey is DHOOFZZGECKNTQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H10BrFN2O2/c11-7-4-13-9(3-8(7)12)14-2-1-6(5-14)10(15)16/h3-4,6H,1-2,5H2,(H,15,16)/t6-/m0/s1.
What are the key properties of (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
(3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.10 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-bromo-4-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 150032550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).