4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide

C11H12ClFN2O2 — CID 100628497

IUPAC4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nccc(Cl)c1F
InChIInChI=1S/C11H12ClFN2O2/c12-8-1-4-14-10(9(8)13)11(16)15-7-2-5-17-6-3-7/h1,4,7H,2-3,5-6H2,(H,15,16)
InChIKeyVHOCPYBAJFRYRB-UHFFFAOYSA-N
MW258.68 g/mol
LogP1.78
Rot. Bonds2

About 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide

4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 100628497) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID100628497
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC Name4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nccc(Cl)c1F
InChIInChI=1S/C11H12ClFN2O2/c12-8-1-4-14-10(9(8)13)11(16)15-7-2-5-17-6-3-7/h1,4,7H,2-3,5-6H2,(H,15,16)
InChIKeyVHOCPYBAJFRYRB-UHFFFAOYSA-N
XLogP1.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide (CID 100628497) is 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide is O=C(NC1CCOCC1)c1nccc(Cl)c1F.
What is the InChIKey of 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is VHOCPYBAJFRYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c12-8-1-4-14-10(9(8)13)11(16)15-7-2-5-17-6-3-7/h1,4,7H,2-3,5-6H2,(H,15,16).
What are the key properties of 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide?
4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 258.68 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 100628497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).