3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine

C9H8BrFN4 — CID 118045204

IUPAC3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cnc(N)c(Br)c2F)cn1
InChIInChI=1S/C9H8BrFN4/c1-15-4-5(2-14-15)6-3-13-9(12)7(10)8(6)11/h2-4H,1H3,(H2,12,13)
InChIKeyVKLKUKAQINXWTR-UHFFFAOYSA-N
MW271.09 g/mol
LogP1.97
Rot. Bonds1

About 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine

3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 118045204) has the molecular formula C9H8BrFN4 and a molecular weight of 271.09 g/mol. Its IUPAC name is 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
PubChem CID118045204
Molecular FormulaC9H8BrFN4
Molecular Weight271.09 g/mol
Exact Mass269.99
IUPAC Name3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cnc(N)c(Br)c2F)cn1
InChIInChI=1S/C9H8BrFN4/c1-15-4-5(2-14-15)6-3-13-9(12)7(10)8(6)11/h2-4H,1H3,(H2,12,13)
InChIKeyVKLKUKAQINXWTR-UHFFFAOYSA-N
XLogP1.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 118045204) is 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine is Cn1cc(-c2cnc(N)c(Br)c2F)cn1.
What is the InChIKey of 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is VKLKUKAQINXWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4/c1-15-4-5(2-14-15)6-3-13-9(12)7(10)8(6)11/h2-4H,1H3,(H2,12,13).
What are the key properties of 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 271.09 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 118045204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).