5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine

C19H16BrFN6 — CID 167421832

IUPAC5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine
SMILESCn1nncc1-c1cnn(C(Cc2ccc(F)cc2)c2ccc(Br)cn2)c1
InChIInChI=1S/C19H16BrFN6/c1-26-19(11-23-25-26)14-9-24-27(12-14)18(17-7-4-15(20)10-22-17)8-13-2-5-16(21)6-3-13/h2-7,9-12,18H,8H2,1H3
InChIKeyVPWMFFZPXDZOKO-UHFFFAOYSA-N
MW427.28 g/mol
LogP3.81
Rot. Bonds5

About 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine

5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine (PubChem CID 167421832) has the molecular formula C19H16BrFN6 and a molecular weight of 427.28 g/mol. Its IUPAC name is 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine
PubChem CID167421832
Molecular FormulaC19H16BrFN6
Molecular Weight427.28 g/mol
Exact Mass426.06
IUPAC Name5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine
SMILESCn1nncc1-c1cnn(C(Cc2ccc(F)cc2)c2ccc(Br)cn2)c1
InChIInChI=1S/C19H16BrFN6/c1-26-19(11-23-25-26)14-9-24-27(12-14)18(17-7-4-15(20)10-22-17)8-13-2-5-16(21)6-3-13/h2-7,9-12,18H,8H2,1H3
InChIKeyVPWMFFZPXDZOKO-UHFFFAOYSA-N
XLogP3.81
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine?
The IUPAC name of 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine (CID 167421832) is 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine?
The canonical SMILES for 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine is Cn1nncc1-c1cnn(C(Cc2ccc(F)cc2)c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine?
The InChIKey is VPWMFFZPXDZOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN6/c1-26-19(11-23-25-26)14-9-24-27(12-14)18(17-7-4-15(20)10-22-17)8-13-2-5-16(21)6-3-13/h2-7,9-12,18H,8H2,1H3.
What are the key properties of 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine?
5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine has a molecular weight of 427.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 167421832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).