5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine

C8H6BrClN4O — CID 106403591

IUPAC5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCc1ncon1
InChIInChI=1S/C8H6BrClN4O/c9-5-1-6(10)8(11-2-5)12-3-7-13-4-15-14-7/h1-2,4H,3H2,(H,11,12)
InChIKeyNYLJBCZXAVEMGE-UHFFFAOYSA-N
MW289.52 g/mol
LogP2.49
Rot. Bonds3

About 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine

5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine (PubChem CID 106403591) has the molecular formula C8H6BrClN4O and a molecular weight of 289.52 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
PubChem CID106403591
Molecular FormulaC8H6BrClN4O
Molecular Weight289.52 g/mol
Exact Mass287.94
IUPAC Name5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCc1ncon1
InChIInChI=1S/C8H6BrClN4O/c9-5-1-6(10)8(11-2-5)12-3-7-13-4-15-14-7/h1-2,4H,3H2,(H,11,12)
InChIKeyNYLJBCZXAVEMGE-UHFFFAOYSA-N
XLogP2.49
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113238278
3,5-dichloro-2-N-ethyl-6-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,6-diamine
CID 114185511
7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 106403276
5-bromo-3-chloro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 82489662
5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106407836
N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
CID 106900156
3-bromo-4-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,5-diamine
CID 106393535
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
2-chloro-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,5-diamine
CID 106393374
5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106404166

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine (CID 106403591) is 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine is Clc1cc(Br)cnc1NCc1ncon1.
What is the InChIKey of 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine?
The InChIKey is NYLJBCZXAVEMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4O/c9-5-1-6(10)8(11-2-5)12-3-7-13-4-15-14-7/h1-2,4H,3H2,(H,11,12).
What are the key properties of 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine?
5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine has a molecular weight of 289.52 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106403591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).