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

C9H7BrClN3 — CID 104809162

IUPAC5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
SMILESClc1cnn(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C9H7BrClN3/c10-7-1-2-9(12-3-7)6-14-5-8(11)4-13-14/h1-5H,6H2
InChIKeyMBTISIGWURIENJ-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.74
Rot. Bonds2

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

5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine (PubChem CID 104809162) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
PubChem CID104809162
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
SMILESClc1cnn(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C9H7BrClN3/c10-7-1-2-9(12-3-7)6-14-5-8(11)4-13-14/h1-5H,6H2
InChIKeyMBTISIGWURIENJ-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
1-[(5-bromo-2-pyridinyl)methyl]pyrazole-4-sulfonyl chloride
CID 104808098
5-bromo-2-[[4-(chloromethyl)triazol-1-yl]methyl]pyridine
CID 104810331
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104811703
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
2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine
CID 103054509
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 130615886
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718140
2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 79765764
3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one
CID 114583198

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine (CID 104809162) is 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine is Clc1cnn(Cc2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine?
The InChIKey is MBTISIGWURIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-7-1-2-9(12-3-7)6-14-5-8(11)4-13-14/h1-5H,6H2.
What are the key properties of 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine?
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine has a molecular weight of 272.53 g/mol, XLogP of 2.74, 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-chloropyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 104809162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).