3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid

C12H7ClF3N3O2 — CID 82794544

IUPAC3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2ccc(C(F)(F)F)nc2)ccc1Cl
InChIInChI=1S/C12H7ClF3N3O2/c13-7-2-4-9(19-10(7)11(20)21)18-6-1-3-8(17-5-6)12(14,15)16/h1-5H,(H,18,19)(H,20,21)
InChIKeyKMXZHNFOULTCGK-UHFFFAOYSA-N
MW317.65 g/mol
LogP3.59
Rot. Bonds3

About 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid

3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid (PubChem CID 82794544) has the molecular formula C12H7ClF3N3O2 and a molecular weight of 317.65 g/mol. Its IUPAC name is 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid
PubChem CID82794544
Molecular FormulaC12H7ClF3N3O2
Molecular Weight317.65 g/mol
Exact Mass317.02
IUPAC Name3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2ccc(C(F)(F)F)nc2)ccc1Cl
InChIInChI=1S/C12H7ClF3N3O2/c13-7-2-4-9(19-10(7)11(20)21)18-6-1-3-8(17-5-6)12(14,15)16/h1-5H,(H,18,19)(H,20,21)
InChIKeyKMXZHNFOULTCGK-UHFFFAOYSA-N
XLogP3.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid (CID 82794544) is 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid is O=C(O)c1nc(Nc2ccc(C(F)(F)F)nc2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid?
The InChIKey is KMXZHNFOULTCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O2/c13-7-2-4-9(19-10(7)11(20)21)18-6-1-3-8(17-5-6)12(14,15)16/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid?
3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid has a molecular weight of 317.65 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 82794544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).