5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine

C14H11BrN4 — CID 90182369

IUPAC5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine
SMILESCn1cc(-c2ccc(-c3ccc(Br)cn3)cn2)cn1
InChIInChI=1S/C14H11BrN4/c1-19-9-11(7-18-19)14-4-2-10(6-16-14)13-5-3-12(15)8-17-13/h2-9H,1H3
InChIKeyVLVCDMBDNRVAJC-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.31
Rot. Bonds2

About 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine

5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine (PubChem CID 90182369) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine
PubChem CID90182369
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine
SMILESCn1cc(-c2ccc(-c3ccc(Br)cn3)cn2)cn1
InChIInChI=1S/C14H11BrN4/c1-19-9-11(7-18-19)14-4-2-10(6-16-14)13-5-3-12(15)8-17-13/h2-9H,1H3
InChIKeyVLVCDMBDNRVAJC-UHFFFAOYSA-N
XLogP3.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine?
The IUPAC name of 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine (CID 90182369) is 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine.
What is the SMILES notation for 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine?
The canonical SMILES for 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine is Cn1cc(-c2ccc(-c3ccc(Br)cn3)cn2)cn1.
What is the InChIKey of 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine?
The InChIKey is VLVCDMBDNRVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c1-19-9-11(7-18-19)14-4-2-10(6-16-14)13-5-3-12(15)8-17-13/h2-9H,1H3.
What are the key properties of 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine?
5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine has a molecular weight of 315.17 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine is sourced from PubChem (CID 90182369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).