3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine

C12H15BrN6 — CID 146139589

IUPAC3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCn1nnc(CN2CCCC2c2cncc(Br)c2)n1
InChIInChI=1S/C12H15BrN6/c1-18-16-12(15-17-18)8-19-4-2-3-11(19)9-5-10(13)7-14-6-9/h5-7,11H,2-4,8H2,1H3
InChIKeyYFYCNPUDQZNTNV-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.70
Rot. Bonds3

About 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine

3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 146139589) has the molecular formula C12H15BrN6 and a molecular weight of 323.20 g/mol. Its IUPAC name is 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID146139589
Molecular FormulaC12H15BrN6
Molecular Weight323.20 g/mol
Exact Mass322.05
IUPAC Name3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCn1nnc(CN2CCCC2c2cncc(Br)c2)n1
InChIInChI=1S/C12H15BrN6/c1-18-16-12(15-17-18)8-19-4-2-3-11(19)9-5-10(13)7-14-6-9/h5-7,11H,2-4,8H2,1H3
InChIKeyYFYCNPUDQZNTNV-UHFFFAOYSA-N
XLogP1.70
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 166256384
3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine
CID 167804488
N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 166256385
[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 107052540
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229
3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine
CID 146573247
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 107043572
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 107040723
N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 107043580
3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 115593313
8-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 138019708
2-[[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 94424083

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine (CID 146139589) is 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine is Cn1nnc(CN2CCCC2c2cncc(Br)c2)n1.
What is the InChIKey of 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is YFYCNPUDQZNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6/c1-18-16-12(15-17-18)8-19-4-2-3-11(19)9-5-10(13)7-14-6-9/h5-7,11H,2-4,8H2,1H3.
What are the key properties of 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine?
3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 323.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 146139589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).