[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium

C13H12FN2O2+ — CID 163865658

IUPAC[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium
SMILESCc1ccc([OH2+])c(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C13H11FN2O2/c1-8-2-4-11(17)10(6-8)13(18)16-12-5-3-9(14)7-15-12/h2-7,17H,1H3,(H,15,16,18)/p+1
InChIKeyPGJTZQCPBGJDQY-UHFFFAOYSA-O
MW247.25 g/mol
LogP2.22
Rot. Bonds2

About [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium

[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium (PubChem CID 163865658) has the molecular formula C13H12FN2O2+ and a molecular weight of 247.25 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium
PubChem CID163865658
Molecular FormulaC13H12FN2O2+
Molecular Weight247.25 g/mol
Exact Mass247.09
IUPAC Name[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium
SMILESCc1ccc([OH2+])c(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C13H11FN2O2/c1-8-2-4-11(17)10(6-8)13(18)16-12-5-3-9(14)7-15-12/h2-7,17H,1H3,(H,15,16,18)/p+1
InChIKeyPGJTZQCPBGJDQY-UHFFFAOYSA-O
XLogP2.22
TPSA64.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 112687750
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
N-(5-fluoro-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 65479688
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
[4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium
CID 142112043
N-(5-fluoro-2-pyridinyl)-2-iodobenzamide
CID 62877590
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133

Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium (CID 163865658) is [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium is Cc1ccc([OH2+])c(C(=O)Nc2ccc(F)cn2)c1.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium?
The InChIKey is PGJTZQCPBGJDQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11FN2O2/c1-8-2-4-11(17)10(6-8)13(18)16-12-5-3-9(14)7-15-12/h2-7,17H,1H3,(H,15,16,18)/p+1.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium?
[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium has a molecular weight of 247.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium is sourced from PubChem (CID 163865658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).