5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine

C8H7ClN4O — CID 169269980

IUPAC5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Cl)nc1-c1nnc(N)o1
InChIInChI=1S/C8H7ClN4O/c1-4-2-3-5(9)11-6(4)7-12-13-8(10)14-7/h2-3H,1H3,(H2,10,13)
InChIKeyPQJXKPHRTUQCHQ-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.68
Rot. Bonds1

About 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine

5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine (PubChem CID 169269980) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
PubChem CID169269980
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Cl)nc1-c1nnc(N)o1
InChIInChI=1S/C8H7ClN4O/c1-4-2-3-5(9)11-6(4)7-12-13-8(10)14-7/h2-3H,1H3,(H2,10,13)
InChIKeyPQJXKPHRTUQCHQ-UHFFFAOYSA-N
XLogP1.68
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 4036354
5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 63048941
2,6-dichloro-3-methylpyridine
CID 817088
5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 82479129
5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
CID 16768183
6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 169253829
2,6-dichloro-3-methylpyridine;hydrochloride
CID 45382145
5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 107517342
N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide
CID 21357771
5-[3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686188
5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
CID 18073044
7-chloro-4-methyl-1,3-benzoxazol-2-amine
CID 82229807

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine (CID 169269980) is 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine is Cc1ccc(Cl)nc1-c1nnc(N)o1.
What is the InChIKey of 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PQJXKPHRTUQCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c1-4-2-3-5(9)11-6(4)7-12-13-8(10)14-7/h2-3H,1H3,(H2,10,13).
What are the key properties of 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 210.62 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 169269980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).