5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine

C9H8ClFN4O — CID 103738591

IUPAC5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCc1nc(CNc2ncc(Cl)cc2F)no1
InChIInChI=1S/C9H8ClFN4O/c1-5-14-8(15-16-5)4-13-9-7(11)2-6(10)3-12-9/h2-3H,4H2,1H3,(H,12,13)
InChIKeyAGNMYAKRTHGBSA-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine

5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (PubChem CID 103738591) has the molecular formula C9H8ClFN4O and a molecular weight of 242.64 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
PubChem CID103738591
Molecular FormulaC9H8ClFN4O
Molecular Weight242.64 g/mol
Exact Mass242.04
IUPAC Name5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
SMILESCc1nc(CNc2ncc(Cl)cc2F)no1
InChIInChI=1S/C9H8ClFN4O/c1-5-14-8(15-16-5)4-13-9-7(11)2-6(10)3-12-9/h2-3H,4H2,1H3,(H,12,13)
InChIKeyAGNMYAKRTHGBSA-UHFFFAOYSA-N
XLogP2.18
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine (CID 103738591) is 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is Cc1nc(CNc2ncc(Cl)cc2F)no1.
What is the InChIKey of 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is AGNMYAKRTHGBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4O/c1-5-14-8(15-16-5)4-13-9-7(11)2-6(10)3-12-9/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 242.64 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 103738591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).