3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid

C11H8F2N2O2 — CID 87399489

IUPAC3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid
SMILESO=C(O)C1(c2ccccn2)N=CC(F)=CC1F
InChIInChI=1S/C11H8F2N2O2/c12-7-5-8(13)11(10(16)17,15-6-7)9-3-1-2-4-14-9/h1-6,8H,(H,16,17)
InChIKeyBUPLFAVLAMXNMY-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.64
Rot. Bonds2

About 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid

3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid (PubChem CID 87399489) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid
PubChem CID87399489
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid
SMILESO=C(O)C1(c2ccccn2)N=CC(F)=CC1F
InChIInChI=1S/C11H8F2N2O2/c12-7-5-8(13)11(10(16)17,15-6-7)9-3-1-2-4-14-9/h1-6,8H,(H,16,17)
InChIKeyBUPLFAVLAMXNMY-UHFFFAOYSA-N
XLogP1.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid?
The IUPAC name of 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid (CID 87399489) is 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid?
The canonical SMILES for 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid is O=C(O)C1(c2ccccn2)N=CC(F)=CC1F.
What is the InChIKey of 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid?
The InChIKey is BUPLFAVLAMXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-7-5-8(13)11(10(16)17,15-6-7)9-3-1-2-4-14-9/h1-6,8H,(H,16,17).
What are the key properties of 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid?
3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid has a molecular weight of 238.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid is sourced from PubChem (CID 87399489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).