5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid

C7H3F4NO2 — CID 130099870

IUPAC5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(F)c1F
InChIInChI=1S/C7H3F4NO2/c8-3-2(6(10)11)1-12-5(4(3)9)7(13)14/h1,6H,(H,13,14)
InChIKeySNIHJMPEAGUQRK-UHFFFAOYSA-N
MW209.10 g/mol
LogP2.00
Rot. Bonds2

About 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid

5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid (PubChem CID 130099870) has the molecular formula C7H3F4NO2 and a molecular weight of 209.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
PubChem CID130099870
Molecular FormulaC7H3F4NO2
Molecular Weight209.10 g/mol
Exact Mass209.01
IUPAC Name5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(F)c1F
InChIInChI=1S/C7H3F4NO2/c8-3-2(6(10)11)1-12-5(4(3)9)7(13)14/h1,6H,(H,13,14)
InChIKeySNIHJMPEAGUQRK-UHFFFAOYSA-N
XLogP2.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130104261
3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130081955
4-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130082328
5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
CID 130081512
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 130096481
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130109738
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
5-(difluoromethyl)-4-fluoro-3-methylpyridine-2-carbonyl chloride
CID 130081258
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid (CID 130099870) is 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid is O=C(O)c1ncc(C(F)F)c(F)c1F.
What is the InChIKey of 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid?
The InChIKey is SNIHJMPEAGUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO2/c8-3-2(6(10)11)1-12-5(4(3)9)7(13)14/h1,6H,(H,13,14).
What are the key properties of 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid?
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid has a molecular weight of 209.10 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid is sourced from PubChem (CID 130099870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).