3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid

C8H9F2NO2 — CID 139564282

IUPAC3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid
SMILESCN1CC(C(F)F)=CC=C1C(=O)O
InChIInChI=1S/C8H9F2NO2/c1-11-4-5(7(9)10)2-3-6(11)8(12)13/h2-3,7H,4H2,1H3,(H,12,13)
InChIKeyXAFIGWSRARRZBC-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.09
Rot. Bonds2

About 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid

3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid (PubChem CID 139564282) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid
PubChem CID139564282
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid
SMILESCN1CC(C(F)F)=CC=C1C(=O)O
InChIInChI=1S/C8H9F2NO2/c1-11-4-5(7(9)10)2-3-6(11)8(12)13/h2-3,7H,4H2,1H3,(H,12,13)
InChIKeyXAFIGWSRARRZBC-UHFFFAOYSA-N
XLogP1.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpyridine-6-carboxylic acid
CID 19958330
1-(1,1-difluoro-2-methylpropyl)-2H-pyridine-6-carboxylic acid
CID 69462511
1-(difluoromethyl)-2H-pyridine-6-carboxylic acid
CID 118693997
1-Methyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497669
6-Oxo-1-prop-2-enyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497862
2-[6-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458848
(Z)-3-methyl-4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]but-2-enoic acid
CID 81319390
6-Oxo-1-(4,4,4-trifluorobutyl)pyridine-2-carboxylic acid
CID 108108515
6-Oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid
CID 108108730
1-Ethyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125499304
1-butyl-2H-pyridine-6-carboxylic acid
CID 53663780
2-(Diethylamino)-5-methylhexa-2,4-dienoic acid
CID 87674182

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid (CID 139564282) is 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid is CN1CC(C(F)F)=CC=C1C(=O)O.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid?
The InChIKey is XAFIGWSRARRZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-11-4-5(7(9)10)2-3-6(11)8(12)13/h2-3,7H,4H2,1H3,(H,12,13).
What are the key properties of 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid?
3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid has a molecular weight of 189.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid is sourced from PubChem (CID 139564282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).