3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C9H3Cl2F3N2O2 — CID 151278989

IUPAC3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(Cl)cc(C(F)(F)F)cn2c1Cl
InChIInChI=1S/C9H3Cl2F3N2O2/c10-4-1-3(9(12,13)14)2-16-6(11)5(8(17)18)15-7(4)16/h1-2H,(H,17,18)
InChIKeyNXYWMZCCXYTUGP-UHFFFAOYSA-N
MW299.04 g/mol
LogP3.36
Rot. Bonds1

About 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 151278989) has the molecular formula C9H3Cl2F3N2O2 and a molecular weight of 299.04 g/mol. Its IUPAC name is 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID151278989
Molecular FormulaC9H3Cl2F3N2O2
Molecular Weight299.04 g/mol
Exact Mass297.95
IUPAC Name3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(Cl)cc(C(F)(F)F)cn2c1Cl
InChIInChI=1S/C9H3Cl2F3N2O2/c10-4-1-3(9(12,13)14)2-16-6(11)5(8(17)18)15-7(4)16/h1-2H,(H,17,18)
InChIKeyNXYWMZCCXYTUGP-UHFFFAOYSA-N
XLogP3.36
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.04
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 55125983
2-acetyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 143763062
3-chloro-6-(1,2-oxazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68745272
3-chloro-6-(2,5-dihydrofuran-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 67085065
8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208477
5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 86632412
N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
CID 126963652
1-bromo-8-chloro-3,6-bis(trifluoromethyl)imidazo[1,5-a]pyridine
CID 103596110
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 2725939
3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 142574205
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-phenylethanone
CID 18283011
ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 163342934

Frequently Asked Questions

What is the IUPAC name of 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 151278989) is 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2c(Cl)cc(C(F)(F)F)cn2c1Cl.
What is the InChIKey of 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is NXYWMZCCXYTUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F3N2O2/c10-4-1-3(9(12,13)14)2-16-6(11)5(8(17)18)15-7(4)16/h1-2H,(H,17,18).
What are the key properties of 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 299.04 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 151278989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).