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

C10H10ClFN4O — CID 75377092

IUPAC5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESCc1noc(CCNc2ncc(Cl)cc2F)n1
InChIInChI=1S/C10H10ClFN4O/c1-6-15-9(17-16-6)2-3-13-10-8(12)4-7(11)5-14-10/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyTTWVMPXSHDFHCV-UHFFFAOYSA-N
MW256.67 g/mol
LogP2.22
Rot. Bonds4

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

5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 75377092) has the molecular formula C10H10ClFN4O and a molecular weight of 256.67 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
PubChem CID75377092
Molecular FormulaC10H10ClFN4O
Molecular Weight256.67 g/mol
Exact Mass256.05
IUPAC Name5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESCc1noc(CCNc2ncc(Cl)cc2F)n1
InChIInChI=1S/C10H10ClFN4O/c1-6-15-9(17-16-6)2-3-13-10-8(12)4-7(11)5-14-10/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyTTWVMPXSHDFHCV-UHFFFAOYSA-N
XLogP2.22
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 52.22
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-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (CID 75377092) is 5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is Cc1noc(CCNc2ncc(Cl)cc2F)n1.
What is the InChIKey of 5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is TTWVMPXSHDFHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O/c1-6-15-9(17-16-6)2-3-13-10-8(12)4-7(11)5-14-10/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 256.67 g/mol, XLogP of 2.22, 4 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-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 75377092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).