2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine

C10H10BrN3 — CID 79260621

IUPAC2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine
SMILESCc1cccc(Cn2cc(Br)cn2)n1
InChIInChI=1S/C10H10BrN3/c1-8-3-2-4-10(13-8)7-14-6-9(11)5-12-14/h2-6H,7H2,1H3
InChIKeyNEKBSMJDOYONBT-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.40
Rot. Bonds2

About 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine

2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine (PubChem CID 79260621) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine
PubChem CID79260621
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine
SMILESCc1cccc(Cn2cc(Br)cn2)n1
InChIInChI=1S/C10H10BrN3/c1-8-3-2-4-10(13-8)7-14-6-9(11)5-12-14/h2-6H,7H2,1H3
InChIKeyNEKBSMJDOYONBT-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine?
The IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine (CID 79260621) is 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine.
What is the SMILES notation for 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine?
The canonical SMILES for 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine is Cc1cccc(Cn2cc(Br)cn2)n1.
What is the InChIKey of 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine?
The InChIKey is NEKBSMJDOYONBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-8-3-2-4-10(13-8)7-14-6-9(11)5-12-14/h2-6H,7H2,1H3.
What are the key properties of 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine?
2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine 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 2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine is sourced from PubChem (CID 79260621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).