1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid

C13H15BrN2O3 — CID 106741792

IUPAC1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2O3/c1-8-6-9(13(18)19)4-5-16(8)12(17)11-3-2-10(14)7-15-11/h2-3,7-9H,4-6H2,1H3,(H,18,19)
InChIKeyZVHQIGFRWZMRRW-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.17
Rot. Bonds2

About 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741792) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106741792
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2O3/c1-8-6-9(13(18)19)4-5-16(8)12(17)11-3-2-10(14)7-15-11/h2-3,7-9H,4-6H2,1H3,(H,18,19)
InChIKeyZVHQIGFRWZMRRW-UHFFFAOYSA-N
XLogP2.17
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741861
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
1-(5-bromofuran-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741803
(5-bromo-2-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62998965
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
CID 55152128
1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741779
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-bromo-2-pyridinyl)methanone
CID 65320580
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
1-(3-bromo-5-fluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741784
(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 113435999
1-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742117
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741830

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106741792) is 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is ZVHQIGFRWZMRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-8-6-9(13(18)19)4-5-16(8)12(17)11-3-2-10(14)7-15-11/h2-3,7-9H,4-6H2,1H3,(H,18,19).
What are the key properties of 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 327.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).