5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid

C8H7F2NO3 — CID 66666313

IUPAC5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(OC(F)F)cnc1C(=O)O
InChIInChI=1S/C8H7F2NO3/c1-4-2-5(14-8(9)10)3-11-6(4)7(12)13/h2-3,8H,1H3,(H,12,13)
InChIKeyBJSGKNMBNWQGOX-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.69
Rot. Bonds3

About 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid

5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid (PubChem CID 66666313) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid
PubChem CID66666313
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid
SMILESCc1cc(OC(F)F)cnc1C(=O)O
InChIInChI=1S/C8H7F2NO3/c1-4-2-5(14-8(9)10)3-11-6(4)7(12)13/h2-3,8H,1H3,(H,12,13)
InChIKeyBJSGKNMBNWQGOX-UHFFFAOYSA-N
XLogP1.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 57475854
CID 57475854
CID 18379352
CID 18379352
CID 3055222
CID 3055222
CID 173872
CID 173872
CID 57475879
CID 57475879
CID 12919808
CID 12919808
CID 66691895
CID 66691895
CID 155154076
CID 155154076
CID 156082
CID 156082
CID 3055220
CID 3055220
CID 3055221
CID 3055221
CID 3055225
CID 3055225

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid (CID 66666313) is 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid is Cc1cc(OC(F)F)cnc1C(=O)O.
What is the InChIKey of 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid?
The InChIKey is BJSGKNMBNWQGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-4-2-5(14-8(9)10)3-11-6(4)7(12)13/h2-3,8H,1H3,(H,12,13).
What are the key properties of 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid?
5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 66666313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).