6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid

C20H13ClF3N3O3 — CID 66877818

IUPAC6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C20H13ClF3N3O3/c1-10-13(4-7-17(26-10)20(22,23)24)18(28)27-12-3-5-15(21)14(8-12)16-6-2-11(9-25-16)19(29)30/h2-9H,1H3,(H,27,28)(H,29,30)
InChIKeyYRBGAARZNIQQKC-UHFFFAOYSA-N
MW435.79 g/mol
LogP5.07
Rot. Bonds4

About 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid

6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid (PubChem CID 66877818) has the molecular formula C20H13ClF3N3O3 and a molecular weight of 435.79 g/mol. Its IUPAC name is 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid
PubChem CID66877818
Molecular FormulaC20H13ClF3N3O3
Molecular Weight435.79 g/mol
Exact Mass435.06
IUPAC Name6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C20H13ClF3N3O3/c1-10-13(4-7-17(26-10)20(22,23)24)18(28)27-12-3-5-15(21)14(8-12)16-6-2-11(9-25-16)19(29)30/h2-9H,1H3,(H,27,28)(H,29,30)
InChIKeyYRBGAARZNIQQKC-UHFFFAOYSA-N
XLogP5.07
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.79
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid (CID 66877818) is 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid?
The InChIKey is YRBGAARZNIQQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O3/c1-10-13(4-7-17(26-10)20(22,23)24)18(28)27-12-3-5-15(21)14(8-12)16-6-2-11(9-25-16)19(29)30/h2-9H,1H3,(H,27,28)(H,29,30).
What are the key properties of 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid?
6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid has a molecular weight of 435.79 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 66877818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).