5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine

C10H10BrN3 — CID 104809156

IUPAC5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
SMILESCc1cnn(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C10H10BrN3/c1-8-4-13-14(6-8)7-10-3-2-9(11)5-12-10/h2-6H,7H2,1H3
InChIKeyGLXYFQWHFGYTDZ-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.40
Rot. Bonds2

About 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine

5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine (PubChem CID 104809156) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
PubChem CID104809156
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
SMILESCc1cnn(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C10H10BrN3/c1-8-4-13-14(6-8)7-10-3-2-9(11)5-12-10/h2-6H,7H2,1H3
InChIKeyGLXYFQWHFGYTDZ-UHFFFAOYSA-N
XLogP2.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
CID 104809162
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104811703
1-[(5-bromo-2-pyridinyl)methyl]pyrazole-4-sulfonyl chloride
CID 104808098
5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine
CID 104809313
5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine
CID 164645104
5-bromo-2-[[4-(chloromethyl)triazol-1-yl]methyl]pyridine
CID 104810331
N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 104811695
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate
CID 150282683
5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104797243

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine (CID 104809156) is 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine is Cc1cnn(Cc2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine?
The InChIKey is GLXYFQWHFGYTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-8-4-13-14(6-8)7-10-3-2-9(11)5-12-10/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine?
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine has a molecular weight of 252.12 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 104809156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).