5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide

C11H8ClFN4O — CID 114089633

IUPAC5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H8ClFN4O/c12-9-3-7(8(14)5-15-9)11(18)17-6-1-2-10(13)16-4-6/h1-5H,14H2,(H,17,18)
InChIKeyOABBALTYADICQX-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.10
Rot. Bonds2

About 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide

5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 114089633) has the molecular formula C11H8ClFN4O and a molecular weight of 266.66 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
PubChem CID114089633
Molecular FormulaC11H8ClFN4O
Molecular Weight266.66 g/mol
Exact Mass266.04
IUPAC Name5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H8ClFN4O/c12-9-3-7(8(14)5-15-9)11(18)17-6-1-2-10(13)16-4-6/h1-5H,14H2,(H,17,18)
InChIKeyOABBALTYADICQX-UHFFFAOYSA-N
XLogP2.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide
CID 103793429
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789803
2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
CID 115279862
4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
CID 114052645
2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 150110924
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
N-(6-fluoro-3-pyridinyl)-2-iodobenzamide
CID 103789921
2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763
5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide
CID 114089631

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide (CID 114089633) is 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide is Nc1cnc(Cl)cc1C(=O)Nc1ccc(F)nc1.
What is the InChIKey of 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is OABBALTYADICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4O/c12-9-3-7(8(14)5-15-9)11(18)17-6-1-2-10(13)16-4-6/h1-5H,14H2,(H,17,18).
What are the key properties of 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide?
5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 266.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 114089633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).