7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol

C18H12Cl3F5N4O — CID 160683490

IUPAC7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol
SMILESCC(Cl)c1ncn2ccc(Cl)c(F)c12.OC(c1ncn2ccc(Cl)c(F)c12)C(F)(F)F
InChIInChI=1S/C9H7Cl2FN2.C9H5ClF4N2O/c1-5(10)8-9-7(12)6(11)2-3-14(9)4-13-8;10-4-1-2-16-3-15-6(7(16)5(4)11)8(17)9(12,13)14/h2-5H,1H3;1-3,8,17H
InChIKeyROLNEVDVASPJMD-UHFFFAOYSA-N
MW501.67 g/mol
LogP6.15
Rot. Bonds2

About 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol

7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol (PubChem CID 160683490) has the molecular formula C18H12Cl3F5N4O and a molecular weight of 501.67 g/mol. Its IUPAC name is 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol
PubChem CID160683490
Molecular FormulaC18H12Cl3F5N4O
Molecular Weight501.67 g/mol
Exact Mass500.00
IUPAC Name7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol
SMILESCC(Cl)c1ncn2ccc(Cl)c(F)c12.OC(c1ncn2ccc(Cl)c(F)c12)C(F)(F)F
InChIInChI=1S/C9H7Cl2FN2.C9H5ClF4N2O/c1-5(10)8-9-7(12)6(11)2-3-14(9)4-13-8;10-4-1-2-16-3-15-6(7(16)5(4)11)8(17)9(12,13)14/h2-5H,1H3;1-3,8,17H
InChIKeyROLNEVDVASPJMD-UHFFFAOYSA-N
XLogP6.15
TPSA54.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol with MolForge

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Related Compounds

US10550089, Example 61
CID 132126283
(R)-(6-chloroimidazo[1,5-a]pyridin-5-yl)-(1-phenyltriazol-4-yl)methanol
CID 155573603
[6-[[2-(1-Chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 58449925
(7-Chloro-6-fluoro-imidazo[1,5-a]pyridin-5-yl)methanol
CID 122605033
(6-Chloro-7-fluoro-imidazo[1,5-a]pyridin-5-yl)methanol
CID 122609650
[7-Chloro-1-[3-[[6-chloro-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexyl]-6-fluoroimidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol
CID 138612184
[6-Chloro-1-[3-[hydroxy-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methyl]cycloheptyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanol
CID 138612202
(3-Chloro-8-fluoroindolizin-5-yl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 141667966
1-(7-Chloro-6-fluoroimidazo[1,5-a]pyridin-5-yl)-2-ethylpentan-1-ol
CID 145166876
1-(6-Chloro-7-fluoroimidazo[1,5-a]pyridin-5-yl)-2-ethylpentan-1-ol
CID 145166970
1-(6-Chloro-7-fluoroimidazo[1,5-a]pyridin-5-yl)-3-ethylhexan-1-ol
CID 145166983
[2-[(3-Chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite
CID 145399965

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol (CID 160683490) is 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol is CC(Cl)c1ncn2ccc(Cl)c(F)c12.OC(c1ncn2ccc(Cl)c(F)c12)C(F)(F)F.
What is the InChIKey of 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol?
The InChIKey is ROLNEVDVASPJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FN2.C9H5ClF4N2O/c1-5(10)8-9-7(12)6(11)2-3-14(9)4-13-8;10-4-1-2-16-3-15-6(7(16)5(4)11)8(17)9(12,13)14/h2-5H,1H3;1-3,8,17H.
What are the key properties of 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol?
7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol has a molecular weight of 501.67 g/mol, XLogP of 6.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(1-chloroethyl)-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 160683490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).