(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium

C18H15F2N4O2+ — CID 58203026

IUPAC(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium
SMILESC[N+](C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C18H14F2N4O2/c1-24(2,16-8-4-6-13(22-16)18(25)26)15-7-3-5-12(21-15)11-9-10-14(19)23-17(11)20/h3-10H,1-2H3/p+1
InChIKeyNTBFEBPPDMAHEG-UHFFFAOYSA-O
MW357.34 g/mol
LogP3.41
Rot. Bonds4

About (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium

(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium (PubChem CID 58203026) has the molecular formula C18H15F2N4O2+ and a molecular weight of 357.34 g/mol. Its IUPAC name is (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium.

Molecular Properties

Compound Name(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium
PubChem CID58203026
Molecular FormulaC18H15F2N4O2+
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium
SMILESC[N+](C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C18H14F2N4O2/c1-24(2,16-8-4-6-13(22-16)18(25)26)15-7-3-5-12(21-15)11-9-10-14(19)23-17(11)20/h3-10H,1-2H3/p+1
InChIKeyNTBFEBPPDMAHEG-UHFFFAOYSA-O
XLogP3.41
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium with MolForge

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Related Compounds

US10513493, Example 20
CID 118301993
US10513493, Example 26
CID 118302022
4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-benzoic acid
CID 56832328
5,7-Bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid
CID 66545152
6-[(3R*,4S*)-4-hydroxy-3,4-dimethyl-1-piperidinyl]-2-pyridinecarboxylic acid
CID 72914798
6-[[2-(Dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521
6-[[(2S)-2-hydroxy-3-phenylpropyl]-methylamino]pyridine-2-carboxylic acid
CID 164634556
6-{4-[6-(4-Fluoro-phenyl)-2-(2-(R)-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-3-(R)-methyl-piperazin-1-yl}-5-methyl-pyridine-2-carboxylic acid
CID 11562238
7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic Acid
CID 11630097
6-Amino-3-(3-fluorophenyl)picolinic acid
CID 46314200
6-[2-[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 58444383
6-[2-[6-(2,4-Difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 58640753

Frequently Asked Questions

What is the IUPAC name of (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium?
The IUPAC name of (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium (CID 58203026) is (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium.
What is the SMILES notation for (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium?
The canonical SMILES for (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium is C[N+](C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium?
The InChIKey is NTBFEBPPDMAHEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14F2N4O2/c1-24(2,16-8-4-6-13(22-16)18(25)26)15-7-3-5-12(21-15)11-9-10-14(19)23-17(11)20/h3-10H,1-2H3/p+1.
What are the key properties of (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium?
(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium has a molecular weight of 357.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium is sourced from PubChem (CID 58203026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).