5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid

C11H13BrN2O2 — CID 167919180

IUPAC5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
SMILESC[C@H]1CCCN1c1cc(C(=O)O)c(Br)cn1
InChIInChI=1S/C11H13BrN2O2/c1-7-3-2-4-14(7)10-5-8(11(15)16)9(12)6-13-10/h5-7H,2-4H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyJSLRCWMBTHCNLR-ZETCQYMHSA-N
MW285.14 g/mol
LogP2.53
Rot. Bonds2

About 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid

5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 167919180) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
PubChem CID167919180
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
SMILESC[C@H]1CCCN1c1cc(C(=O)O)c(Br)cn1
InChIInChI=1S/C11H13BrN2O2/c1-7-3-2-4-14(7)10-5-8(11(15)16)9(12)6-13-10/h5-7H,2-4H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyJSLRCWMBTHCNLR-ZETCQYMHSA-N
XLogP2.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)-2-methylazepane
CID 114870444
5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154592188
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783
[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
CID 170319554
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697
3-bromo-5-methyl-2-(2-methylpyrrolidin-1-yl)pyridine
CID 105367577
N,N-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
CID 175589631
5-bromo-2-methylsulfanylpyridine-4-carboxylic acid
CID 130572390
2-methyl-5-(2-methylpyrrolidin-1-yl)benzoic acid
CID 79679880
5-methyl-2-(2-methylpiperidin-1-yl)pyridin-4-amine
CID 83265979

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid (CID 167919180) is 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid is C[C@H]1CCCN1c1cc(C(=O)O)c(Br)cn1.
What is the InChIKey of 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is JSLRCWMBTHCNLR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-3-2-4-14(7)10-5-8(11(15)16)9(12)6-13-10/h5-7H,2-4H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid?
5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 285.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 167919180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).