2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide

C12H9ClFN3O — CID 55041638

IUPAC2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2cccc(Cl)c2F)ccn1
InChIInChI=1S/C12H9ClFN3O/c13-8-2-1-3-9(11(8)14)17-12(18)7-4-5-16-10(15)6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyZUSKJHJZOJATBK-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.71
Rot. Bonds2

About 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide

2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide (PubChem CID 55041638) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
PubChem CID55041638
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2cccc(Cl)c2F)ccn1
InChIInChI=1S/C12H9ClFN3O/c13-8-2-1-3-9(11(8)14)17-12(18)7-4-5-16-10(15)6-7/h1-6H,(H2,15,16)(H,17,18)
InChIKeyZUSKJHJZOJATBK-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 62161331
2-amino-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 62151990
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64524808
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
CID 60628960
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 107810212
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696
3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 105068435

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide (CID 55041638) is 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide is Nc1cc(C(=O)Nc2cccc(Cl)c2F)ccn1.
What is the InChIKey of 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is ZUSKJHJZOJATBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-8-2-1-3-9(11(8)14)17-12(18)7-4-5-16-10(15)6-7/h1-6H,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 265.68 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 55041638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).