3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine

C10H9BrClN3O — CID 114835829

IUPAC3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CNc2ncc(Cl)cc2Br)no1
InChIInChI=1S/C10H9BrClN3O/c1-6-2-8(15-16-6)5-14-10-9(11)3-7(12)4-13-10/h2-4H,5H2,1H3,(H,13,14)
InChIKeyMLBDAIPOMABXIC-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.41
Rot. Bonds3

About 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine

3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine (PubChem CID 114835829) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
PubChem CID114835829
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CNc2ncc(Cl)cc2Br)no1
InChIInChI=1S/C10H9BrClN3O/c1-6-2-8(15-16-6)5-14-10-9(11)3-7(12)4-13-10/h2-4H,5H2,1H3,(H,13,14)
InChIKeyMLBDAIPOMABXIC-UHFFFAOYSA-N
XLogP3.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine (CID 114835829) is 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine is Cc1cc(CNc2ncc(Cl)cc2Br)no1.
What is the InChIKey of 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is MLBDAIPOMABXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-6-2-8(15-16-6)5-14-10-9(11)3-7(12)4-13-10/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 302.56 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114835829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).