2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride

C25H20Cl3F9N6O7 — CID 157351332

IUPAC2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride
SMILESCl.N.Nc1nc(C(F)(F)F)ccc1C(=O)O.O=C(O)c1ccc(C(F)(F)F)n2ccnc12.O=C(O)c1ccc(C(F)(F)F)nc1Cl.O=CCCl
InChIInChI=1S/C9H5F3N2O2.C7H3ClF3NO2.C7H5F3N2O2.C2H3ClO.ClH.H3N/c10-9(11,12)6-2-1-5(8(15)16)7-13-3-4-14(6)7;8-5-3(6(13)14)1-2-4(12-5)7(9,10)11;8-7(9,10)4-2-1-3(6(13)14)5(11)12-4;3-1-2-4;;/h1-4H,(H,15,16);1-2H,(H,13,14);1-2H,(H2,11,12)(H,13,14);2H,1H2;1H;1H3
InChIKeyNIOBSYHQUGPNDV-UHFFFAOYSA-N
MW793.81 g/mol
LogP6.89
Rot. Bonds4

About 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride

2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride (PubChem CID 157351332) has the molecular formula C25H20Cl3F9N6O7 and a molecular weight of 793.81 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride
PubChem CID157351332
Molecular FormulaC25H20Cl3F9N6O7
Molecular Weight793.81 g/mol
Exact Mass792.03
IUPAC Name2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride
SMILESCl.N.Nc1nc(C(F)(F)F)ccc1C(=O)O.O=C(O)c1ccc(C(F)(F)F)n2ccnc12.O=C(O)c1ccc(C(F)(F)F)nc1Cl.O=CCCl
InChIInChI=1S/C9H5F3N2O2.C7H3ClF3NO2.C7H5F3N2O2.C2H3ClO.ClH.H3N/c10-9(11,12)6-2-1-5(8(15)16)7-13-3-4-14(6)7;8-5-3(6(13)14)1-2-4(12-5)7(9,10)11;8-7(9,10)4-2-1-3(6(13)14)5(11)12-4;3-1-2-4;;/h1-4H,(H,15,16);1-2H,(H,13,14);1-2H,(H2,11,12)(H,13,14);2H,1H2;1H;1H3
InChIKeyNIOBSYHQUGPNDV-UHFFFAOYSA-N
XLogP6.89
TPSA233.07 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.81
LogP ≤ 56.89
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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Related Compounds

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
2-Amino-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-chloroacetaldehyde;6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 159299695
4,4-Difluoro-1-methylpiperidine;5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxylic acid
CID 163261007
6-[[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid
CID 59176800
2-Amino-5-chloropyridine-3-carboxylic acid;6-chloroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 67810910
2-[2-[2-(3-Chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 68232684
Ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid
CID 143928179
2-Amino-5-fluoropyridine-3-carboxylic acid;2-chloroacetaldehyde;6-fluoroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 157525441
6-(Chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride
CID 158155319
6-Aminopyridine-3-carboxylic acid;3-butylimidazo[1,2-a]pyridine-6-carboxylic acid;2-chlorohexanal
CID 160574085
2-Amino-4-chloropyridine-3-carboxylic acid;2-chloroacetaldehyde;7-chloroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 161764819
1-Chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251193

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride?
The IUPAC name of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride (CID 157351332) is 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride is Cl.N.Nc1nc(C(F)(F)F)ccc1C(=O)O.O=C(O)c1ccc(C(F)(F)F)n2ccnc12.O=C(O)c1ccc(C(F)(F)F)nc1Cl.O=CCCl.
What is the InChIKey of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride?
The InChIKey is NIOBSYHQUGPNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2.C7H3ClF3NO2.C7H5F3N2O2.C2H3ClO.ClH.H3N/c10-9(11,12)6-2-1-5(8(15)16)7-13-3-4-14(6)7;8-5-3(6(13)14)1-2-4(12-5)7(9,10)11;8-7(9,10)4-2-1-3(6(13)14)5(11)12-4;3-1-2-4;;/h1-4H,(H,15,16);1-2H,(H,13,14);1-2H,(H2,11,12)(H,13,14);2H,1H2;1H;1H3.
What are the key properties of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride?
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride has a molecular weight of 793.81 g/mol, XLogP of 6.89, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 157351332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).