5-bromo-4-(1-fluoropropyl)pyridin-3-amine

C8H10BrFN2 — CID 142503072

IUPAC5-bromo-4-(1-fluoropropyl)pyridin-3-amine
SMILESCCC(F)c1c(N)cncc1Br
InChIInChI=1S/C8H10BrFN2/c1-2-6(10)8-5(9)3-12-4-7(8)11/h3-4,6H,2,11H2,1H3
InChIKeyCUZVPKPNKHSCLT-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.85
Rot. Bonds2

About 5-bromo-4-(1-fluoropropyl)pyridin-3-amine

5-bromo-4-(1-fluoropropyl)pyridin-3-amine (PubChem CID 142503072) has the molecular formula C8H10BrFN2 and a molecular weight of 233.08 g/mol. Its IUPAC name is 5-bromo-4-(1-fluoropropyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(1-fluoropropyl)pyridin-3-amine
PubChem CID142503072
Molecular FormulaC8H10BrFN2
Molecular Weight233.08 g/mol
Exact Mass232.00
IUPAC Name5-bromo-4-(1-fluoropropyl)pyridin-3-amine
SMILESCCC(F)c1c(N)cncc1Br
InChIInChI=1S/C8H10BrFN2/c1-2-6(10)8-5(9)3-12-4-7(8)11/h3-4,6H,2,11H2,1H3
InChIKeyCUZVPKPNKHSCLT-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-fluoropropyl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(1-fluoropropyl)pyridin-3-amine (CID 142503072) is 5-bromo-4-(1-fluoropropyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(1-fluoropropyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(1-fluoropropyl)pyridin-3-amine is CCC(F)c1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-(1-fluoropropyl)pyridin-3-amine?
The InChIKey is CUZVPKPNKHSCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2/c1-2-6(10)8-5(9)3-12-4-7(8)11/h3-4,6H,2,11H2,1H3.
What are the key properties of 5-bromo-4-(1-fluoropropyl)pyridin-3-amine?
5-bromo-4-(1-fluoropropyl)pyridin-3-amine has a molecular weight of 233.08 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-fluoropropyl)pyridin-3-amine is sourced from PubChem (CID 142503072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).