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

C18H8Cl2F8N4O2 — CID 161349016

IUPAC1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ncn2ccc(Cl)c(F)c12)C(F)(F)F.OC(c1ncn2ccc(Cl)c(F)c12)C(F)(F)F
InChIInChI=1S/C9H5ClF4N2O.C9H3ClF4N2O/c2*10-4-1-2-16-3-15-6(7(16)5(4)11)8(17)9(12,13)14/h1-3,8,17H;1-3H
InChIKeyVNRNTJFGYOPXIN-UHFFFAOYSA-N
MW535.18 g/mol
LogP5.59
Rot. Bonds2

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

1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 161349016) has the molecular formula C18H8Cl2F8N4O2 and a molecular weight of 535.18 g/mol. Its IUPAC name is 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
PubChem CID161349016
Molecular FormulaC18H8Cl2F8N4O2
Molecular Weight535.18 g/mol
Exact Mass533.99
IUPAC Name1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ncn2ccc(Cl)c(F)c12)C(F)(F)F.OC(c1ncn2ccc(Cl)c(F)c12)C(F)(F)F
InChIInChI=1S/C9H5ClF4N2O.C9H3ClF4N2O/c2*10-4-1-2-16-3-15-6(7(16)5(4)11)8(17)9(12,13)14/h1-3,8,17H;1-3H
InChIKeyVNRNTJFGYOPXIN-UHFFFAOYSA-N
XLogP5.59
TPSA71.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.18
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-Chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 156151907
7-Chloro-8-fluoroimidazo[1,5-a]pyridine;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 157711020
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
6-Chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742776
2-(4-Chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 137362212
(7-Chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(7-chloro-1-methylimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone
CID 145166913
[7-Chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone
CID 155329567
7-Chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 157419022
3-[(2,4-Dichlorophenyl)methyl]imidazo[1,5-a]pyridine-1-carbaldehyde;[3-[(2,4-dichlorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]methanol
CID 157561109
(2-chloro-4-pyridinyl)-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methanol;(2-chloro-4-pyridinyl)-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methanone
CID 157769153
Magnesium;6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6-chloroimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;cyclohexane;methane;bromide
CID 161931771
7-Chloroimidazo[1,5-a]pyridine-1-carboxylic acid;hydrochloride
CID 175425409

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone (CID 161349016) is 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone is O=C(c1ncn2ccc(Cl)c(F)c12)C(F)(F)F.OC(c1ncn2ccc(Cl)c(F)c12)C(F)(F)F.
What is the InChIKey of 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is VNRNTJFGYOPXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF4N2O.C9H3ClF4N2O/c2*10-4-1-2-16-3-15-6(7(16)5(4)11)8(17)9(12,13)14/h1-3,8,17H;1-3H.
What are the key properties of 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 535.18 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanol;1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 161349016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).