6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid

C17H12F2N4O2 — CID 59399427

IUPAC6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid
SMILESCN(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C17H12F2N4O2/c1-23(15-7-3-5-12(21-15)17(24)25)14-6-2-4-11(20-14)10-8-9-13(18)22-16(10)19/h2-9H,1H3,(H,24,25)
InChIKeyGIZMDLBOGFRQAN-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.28
Rot. Bonds4

About 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid

6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid (PubChem CID 59399427) has the molecular formula C17H12F2N4O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid
PubChem CID59399427
Molecular FormulaC17H12F2N4O2
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid
SMILESCN(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C17H12F2N4O2/c1-23(15-7-3-5-12(21-15)17(24)25)14-6-2-4-11(20-14)10-8-9-13(18)22-16(10)19/h2-9H,1H3,(H,24,25)
InChIKeyGIZMDLBOGFRQAN-UHFFFAOYSA-N
XLogP3.28
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid 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-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid (CID 59399427) is 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid is CN(c1cccc(C(=O)O)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid?
The InChIKey is GIZMDLBOGFRQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2/c1-23(15-7-3-5-12(21-15)17(24)25)14-6-2-4-11(20-14)10-8-9-13(18)22-16(10)19/h2-9H,1H3,(H,24,25).
What are the key properties of 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid?
6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid has a molecular weight of 342.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 59399427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).