6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide

C12H9F2N3O — CID 62152342

IUPAC6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cc(F)ccc2F)cn1
InChIInChI=1S/C12H9F2N3O/c13-8-2-3-9(14)10(5-8)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyLABNRSIGQJNLDE-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.19
Rot. Bonds2

About 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide

6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide (PubChem CID 62152342) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide
PubChem CID62152342
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cc(F)ccc2F)cn1
InChIInChI=1S/C12H9F2N3O/c13-8-2-3-9(14)10(5-8)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyLABNRSIGQJNLDE-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide (CID 62152342) is 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide is Nc1ccc(C(=O)Nc2cc(F)ccc2F)cn1.
What is the InChIKey of 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is LABNRSIGQJNLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-8-2-3-9(14)10(5-8)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 249.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62152342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).