5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine

C13H16BrN5 — CID 71967664

IUPAC5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine
SMILESBrc1ccc(N2CCC(Cn3ccnn3)CC2)nc1
InChIInChI=1S/C13H16BrN5/c14-12-1-2-13(15-9-12)18-6-3-11(4-7-18)10-19-8-5-16-17-19/h1-2,5,8-9,11H,3-4,6-7,10H2
InChIKeyVPSNVARKOSZTDS-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.35
Rot. Bonds3

About 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine

5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine (PubChem CID 71967664) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine
PubChem CID71967664
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine
SMILESBrc1ccc(N2CCC(Cn3ccnn3)CC2)nc1
InChIInChI=1S/C13H16BrN5/c14-12-1-2-13(15-9-12)18-6-3-11(4-7-18)10-19-8-5-16-17-19/h1-2,5,8-9,11H,3-4,6-7,10H2
InChIKeyVPSNVARKOSZTDS-UHFFFAOYSA-N
XLogP2.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412698
3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412730
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine
CID 155974715
2-benzylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrazine
CID 133390082
2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133412671
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
CID 66674145
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine?
The IUPAC name of 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine (CID 71967664) is 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine is Brc1ccc(N2CCC(Cn3ccnn3)CC2)nc1.
What is the InChIKey of 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine?
The InChIKey is VPSNVARKOSZTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c14-12-1-2-13(15-9-12)18-6-3-11(4-7-18)10-19-8-5-16-17-19/h1-2,5,8-9,11H,3-4,6-7,10H2.
What are the key properties of 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine?
5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine has a molecular weight of 322.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 71967664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).