5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide

C12H9ClFN3O2 — CID 114267919

IUPAC5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(Cl)cc2F)ncc1N
InChIInChI=1S/C12H9ClFN3O2/c13-6-1-2-10(8(14)3-6)19-11-4-7(12(16)18)9(15)5-17-11/h1-5H,15H2,(H2,16,18)
InChIKeyYBKIFCLBWOIZFC-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.35
Rot. Bonds3

About 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide

5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide (PubChem CID 114267919) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide
PubChem CID114267919
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(Cl)cc2F)ncc1N
InChIInChI=1S/C12H9ClFN3O2/c13-6-1-2-10(8(14)3-6)19-11-4-7(12(16)18)9(15)5-17-11/h1-5H,15H2,(H2,16,18)
InChIKeyYBKIFCLBWOIZFC-UHFFFAOYSA-N
XLogP2.35
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide
CID 114090632
5-amino-2-(2,5-difluorophenoxy)pyridine-4-carboxamide
CID 114090768
5-amino-2-(4-methoxyphenoxy)pyridine-4-carboxamide
CID 114090626
5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide
CID 114090771
6-(2,4-difluorophenoxy)-4-methylpyridin-3-amine
CID 79175877
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
(1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine
CID 174273133
2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 117077328
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
CID 62059169

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide (CID 114267919) is 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide is NC(=O)c1cc(Oc2ccc(Cl)cc2F)ncc1N.
What is the InChIKey of 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide?
The InChIKey is YBKIFCLBWOIZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c13-6-1-2-10(8(14)3-6)19-11-4-7(12(16)18)9(15)5-17-11/h1-5H,15H2,(H2,16,18).
What are the key properties of 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide?
5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide has a molecular weight of 281.67 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 114267919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).