3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine

C11H9BrClN3 — CID 114837471

IUPAC3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine
SMILESClc1cnc(-n2ccc(C3CC3)n2)c(Br)c1
InChIInChI=1S/C11H9BrClN3/c12-9-5-8(13)6-14-11(9)16-4-3-10(15-16)7-1-2-7/h3-7H,1-2H2
InChIKeyXRXZPRWPSVPXHQ-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.56
Rot. Bonds2

About 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine

3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine (PubChem CID 114837471) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine
PubChem CID114837471
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine
SMILESClc1cnc(-n2ccc(C3CC3)n2)c(Br)c1
InChIInChI=1S/C11H9BrClN3/c12-9-5-8(13)6-14-11(9)16-4-3-10(15-16)7-1-2-7/h3-7H,1-2H2
InChIKeyXRXZPRWPSVPXHQ-UHFFFAOYSA-N
XLogP3.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine?
The IUPAC name of 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine (CID 114837471) is 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine is Clc1cnc(-n2ccc(C3CC3)n2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine?
The InChIKey is XRXZPRWPSVPXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c12-9-5-8(13)6-14-11(9)16-4-3-10(15-16)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine?
3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine has a molecular weight of 298.57 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine is sourced from PubChem (CID 114837471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).