5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide

C12H9BrF2N4O — CID 102854816

IUPAC5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C12H9BrF2N4O/c13-5-3-10(7(15)4-6(5)14)19-12-8(16)1-2-9(18-12)11(17)20/h1-4H,16H2,(H2,17,20)(H,18,19)
InChIKeyOKXMKLAWVNIKSB-UHFFFAOYSA-N
MW343.13 g/mol
LogP2.55
Rot. Bonds3

About 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide

5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide (PubChem CID 102854816) has the molecular formula C12H9BrF2N4O and a molecular weight of 343.13 g/mol. Its IUPAC name is 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
PubChem CID102854816
Molecular FormulaC12H9BrF2N4O
Molecular Weight343.13 g/mol
Exact Mass341.99
IUPAC Name5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C12H9BrF2N4O/c13-5-3-10(7(15)4-6(5)14)19-12-8(16)1-2-9(18-12)11(17)20/h1-4H,16H2,(H2,17,20)(H,18,19)
InChIKeyOKXMKLAWVNIKSB-UHFFFAOYSA-N
XLogP2.55
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide (CID 102854816) is 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide is NC(=O)c1ccc(N)c(Nc2cc(Br)c(F)cc2F)n1.
What is the InChIKey of 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide?
The InChIKey is OKXMKLAWVNIKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N4O/c13-5-3-10(7(15)4-6(5)14)19-12-8(16)1-2-9(18-12)11(17)20/h1-4H,16H2,(H2,17,20)(H,18,19).
What are the key properties of 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide?
5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide has a molecular weight of 343.13 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 102854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).