4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

C14H8ClF5N2O2 — CID 90441349

IUPAC4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCc1c(-c2nc(C(=O)O)c(Cl)c(N)c2F)ccc(C(F)(F)F)c1F
InChIInChI=1S/C14H8ClF5N2O2/c1-4-5(2-3-6(8(4)16)14(18,19)20)11-9(17)10(21)7(15)12(22-11)13(23)24/h2-3H,1H3,(H2,21,22)(H,23,24)
InChIKeyCHVVGSXBHVLSGW-UHFFFAOYSA-N
MW366.67 g/mol
LogP4.29
Rot. Bonds2

About 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 90441349) has the molecular formula C14H8ClF5N2O2 and a molecular weight of 366.67 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID90441349
Molecular FormulaC14H8ClF5N2O2
Molecular Weight366.67 g/mol
Exact Mass366.02
IUPAC Name4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCc1c(-c2nc(C(=O)O)c(Cl)c(N)c2F)ccc(C(F)(F)F)c1F
InChIInChI=1S/C14H8ClF5N2O2/c1-4-5(2-3-6(8(4)16)14(18,19)20)11-9(17)10(21)7(15)12(22-11)13(23)24/h2-3H,1H3,(H2,21,22)(H,23,24)
InChIKeyCHVVGSXBHVLSGW-UHFFFAOYSA-N
XLogP4.29
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.67
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 90441349) is 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is Cc1c(-c2nc(C(=O)O)c(Cl)c(N)c2F)ccc(C(F)(F)F)c1F.
What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is CHVVGSXBHVLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5N2O2/c1-4-5(2-3-6(8(4)16)14(18,19)20)11-9(17)10(21)7(15)12(22-11)13(23)24/h2-3H,1H3,(H2,21,22)(H,23,24).
What are the key properties of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 366.67 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 90441349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).