5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine

C10H9BrClN3 — CID 104809313

IUPAC5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine
SMILESCc1nn(Cc2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C10H9BrClN3/c1-7-10(12)6-15(14-7)5-9-3-2-8(11)4-13-9/h2-4,6H,5H2,1H3
InChIKeyYQWAACQKFRRWPC-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.05
Rot. Bonds2

About 5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine

5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine (PubChem CID 104809313) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine
PubChem CID104809313
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine
SMILESCc1nn(Cc2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C10H9BrClN3/c1-7-10(12)6-15(14-7)5-9-3-2-8(11)4-13-9/h2-4,6H,5H2,1H3
InChIKeyYQWAACQKFRRWPC-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 104811695
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
CID 104809162
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-methoxyethanamine
CID 104811700
[5-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061522
1-[(5-chloro-2-pyridinyl)methyl]-3-methylpyrazol-4-amine
CID 165471981
2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251981
6-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridin-2-amine
CID 79232417
5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 104809178
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine (CID 104809313) is 5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine is Cc1nn(Cc2ccc(Br)cn2)cc1Cl.
What is the InChIKey of 5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine?
The InChIKey is YQWAACQKFRRWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c1-7-10(12)6-15(14-7)5-9-3-2-8(11)4-13-9/h2-4,6H,5H2,1H3.
What are the key properties of 5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine?
5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine has a molecular weight of 286.56 g/mol, XLogP of 3.05, 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-chloro-3-methylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 104809313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).