[4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium

C13H12F2N3O2+ — CID 142112043

IUPAC[4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium
SMILESCc1ccc(NC(=O)c2cc(F)c(F)cc2[NH2+]O)nc1
InChIInChI=1S/C13H11F2N3O2/c1-7-2-3-12(16-6-7)17-13(19)8-4-9(14)10(15)5-11(8)18-20/h2-6,18,20H,1H3,(H,16,17,19)/p+1
InChIKeyJRASWSNBVYQNGD-UHFFFAOYSA-O
MW280.25 g/mol
LogP1.50
Rot. Bonds3

About [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium

[4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium (PubChem CID 142112043) has the molecular formula C13H12F2N3O2+ and a molecular weight of 280.25 g/mol. Its IUPAC name is [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium.

Molecular Properties

Compound Name[4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium
PubChem CID142112043
Molecular FormulaC13H12F2N3O2+
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name[4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium
SMILESCc1ccc(NC(=O)c2cc(F)c(F)cc2[NH2+]O)nc1
InChIInChI=1S/C13H11F2N3O2/c1-7-2-3-12(16-6-7)17-13(19)8-4-9(14)10(15)5-11(8)18-20/h2-6,18,20H,1H3,(H,16,17,19)/p+1
InChIKeyJRASWSNBVYQNGD-UHFFFAOYSA-O
XLogP1.50
TPSA78.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 112687750
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
2,5-dimethyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 18106811
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium
CID 163865658
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide
CID 67991287

Frequently Asked Questions

What is the IUPAC name of [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium?
The IUPAC name of [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium (CID 142112043) is [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium.
What is the SMILES notation for [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium?
The canonical SMILES for [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium is Cc1ccc(NC(=O)c2cc(F)c(F)cc2[NH2+]O)nc1.
What is the InChIKey of [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium?
The InChIKey is JRASWSNBVYQNGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11F2N3O2/c1-7-2-3-12(16-6-7)17-13(19)8-4-9(14)10(15)5-11(8)18-20/h2-6,18,20H,1H3,(H,16,17,19)/p+1.
What are the key properties of [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium?
[4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium has a molecular weight of 280.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium is sourced from PubChem (CID 142112043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).