3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine

C10H13BrClN3 — CID 107425615

IUPAC3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
SMILESCC1(Nc2ncc(Cl)cc2Br)CCNC1
InChIInChI=1S/C10H13BrClN3/c1-10(2-3-13-6-10)15-9-8(11)4-7(12)5-14-9/h4-5,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyYQFLNYWRTLJRNB-UHFFFAOYSA-N
MW290.59 g/mol
LogP2.66
Rot. Bonds2

About 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine

3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine (PubChem CID 107425615) has the molecular formula C10H13BrClN3 and a molecular weight of 290.59 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
PubChem CID107425615
Molecular FormulaC10H13BrClN3
Molecular Weight290.59 g/mol
Exact Mass289.00
IUPAC Name3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
SMILESCC1(Nc2ncc(Cl)cc2Br)CCNC1
InChIInChI=1S/C10H13BrClN3/c1-10(2-3-13-6-10)15-9-8(11)4-7(12)5-14-9/h4-5,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyYQFLNYWRTLJRNB-UHFFFAOYSA-N
XLogP2.66
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine (CID 107425615) is 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine is CC1(Nc2ncc(Cl)cc2Br)CCNC1.
What is the InChIKey of 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine?
The InChIKey is YQFLNYWRTLJRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3/c1-10(2-3-13-6-10)15-9-8(11)4-7(12)5-14-9/h4-5,13H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine?
3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine has a molecular weight of 290.59 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 107425615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).