2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid

C25H19Cl2F9N6O7 — CID 159273680

IUPAC2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESN.Nc1nccc(C(F)(F)F)c1C(=O)O.O=C(O)c1c(C(F)(F)F)ccn2ccnc12.O=C(O)c1c(C(F)(F)F)ccnc1Cl.O=CCCl
InChIInChI=1S/C9H5F3N2O2.C7H3ClF3NO2.C7H5F3N2O2.C2H3ClO.H3N/c10-9(11,12)5-1-3-14-4-2-13-7(14)6(5)8(15)16;8-5-4(6(13)14)3(1-2-12-5)7(9,10)11;8-7(9,10)3-1-2-12-5(11)4(3)6(13)14;3-1-2-4;/h1-4H,(H,15,16);1-2H,(H,13,14);1-2H,(H2,11,12)(H,13,14);2H,1H2;1H3
InChIKeyQDHCJOHHPBWQSF-UHFFFAOYSA-N
MW757.35 g/mol
LogP6.47
Rot. Bonds4

About 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid

2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 159273680) has the molecular formula C25H19Cl2F9N6O7 and a molecular weight of 757.35 g/mol. Its IUPAC name is 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID159273680
Molecular FormulaC25H19Cl2F9N6O7
Molecular Weight757.35 g/mol
Exact Mass756.05
IUPAC Name2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESN.Nc1nccc(C(F)(F)F)c1C(=O)O.O=C(O)c1c(C(F)(F)F)ccn2ccnc12.O=C(O)c1c(C(F)(F)F)ccnc1Cl.O=CCCl
InChIInChI=1S/C9H5F3N2O2.C7H3ClF3NO2.C7H5F3N2O2.C2H3ClO.H3N/c10-9(11,12)5-1-3-14-4-2-13-7(14)6(5)8(15)16;8-5-4(6(13)14)3(1-2-12-5)7(9,10)11;8-7(9,10)3-1-2-12-5(11)4(3)6(13)14;3-1-2-4;/h1-4H,(H,15,16);1-2H,(H,13,14);1-2H,(H2,11,12)(H,13,14);2H,1H2;1H3
InChIKeyQDHCJOHHPBWQSF-UHFFFAOYSA-N
XLogP6.47
TPSA233.07 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.35
LogP ≤ 56.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid (CID 159273680) is 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid is N.Nc1nccc(C(F)(F)F)c1C(=O)O.O=C(O)c1c(C(F)(F)F)ccn2ccnc12.O=C(O)c1c(C(F)(F)F)ccnc1Cl.O=CCCl.
What is the InChIKey of 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is QDHCJOHHPBWQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2.C7H3ClF3NO2.C7H5F3N2O2.C2H3ClO.H3N/c10-9(11,12)5-1-3-14-4-2-13-7(14)6(5)8(15)16;8-5-4(6(13)14)3(1-2-12-5)7(9,10)11;8-7(9,10)3-1-2-12-5(11)4(3)6(13)14;3-1-2-4;/h1-4H,(H,15,16);1-2H,(H,13,14);1-2H,(H2,11,12)(H,13,14);2H,1H2;1H3.
What are the key properties of 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 757.35 g/mol, XLogP of 6.47, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid;7-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 159273680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).