4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine

C10H13BrN2O — CID 130891045

IUPAC4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine
SMILESCC1OCCC1Nc1cc(Br)ccn1
InChIInChI=1S/C10H13BrN2O/c1-7-9(3-5-14-7)13-10-6-8(11)2-4-12-10/h2,4,6-7,9H,3,5H2,1H3,(H,12,13)
InChIKeyAMJDYGAXYHJWAN-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.43
Rot. Bonds2

About 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine

4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine (PubChem CID 130891045) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine
PubChem CID130891045
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine
SMILESCC1OCCC1Nc1cc(Br)ccn1
InChIInChI=1S/C10H13BrN2O/c1-7-9(3-5-14-7)13-10-6-8(11)2-4-12-10/h2,4,6-7,9H,3,5H2,1H3,(H,12,13)
InChIKeyAMJDYGAXYHJWAN-UHFFFAOYSA-N
XLogP2.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine?
The IUPAC name of 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine (CID 130891045) is 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine is CC1OCCC1Nc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine?
The InChIKey is AMJDYGAXYHJWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-9(3-5-14-7)13-10-6-8(11)2-4-12-10/h2,4,6-7,9H,3,5H2,1H3,(H,12,13).
What are the key properties of 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine?
4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine has a molecular weight of 257.13 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 130891045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).