7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid

C16H8Cl2F2N4O3 — CID 157419022

IUPAC7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1ncn2ccc(Cl)c(F)c12.O=Cc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C8H4ClFN2O2.C8H4ClFN2O/c9-4-1-2-12-3-11-6(8(13)14)7(12)5(4)10;9-5-1-2-12-4-11-6(3-13)8(12)7(5)10/h1-3H,(H,13,14);1-4H
InChIKeyBPEOBBMNXYFYAY-UHFFFAOYSA-N
MW413.17 g/mol
LogP3.76
Rot. Bonds2

About 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid

7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 157419022) has the molecular formula C16H8Cl2F2N4O3 and a molecular weight of 413.17 g/mol. Its IUPAC name is 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID157419022
Molecular FormulaC16H8Cl2F2N4O3
Molecular Weight413.17 g/mol
Exact Mass411.99
IUPAC Name7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1ncn2ccc(Cl)c(F)c12.O=Cc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C8H4ClFN2O2.C8H4ClFN2O/c9-4-1-2-12-3-11-6(8(13)14)7(12)5(4)10;9-5-1-2-12-4-11-6(3-13)8(12)7(5)10/h1-3H,(H,13,14);1-4H
InChIKeyBPEOBBMNXYFYAY-UHFFFAOYSA-N
XLogP3.76
TPSA88.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-3-(propan-2-yl)imidazo(1,5-a)pyridine-1-carboxylic acid
CID 83869343
7-Chloro-6-fluoroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 140313219
7-Chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 156151907
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
6-Chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742776
8-Fluoro-imidazo[1,5-a]pyridine-1-carboxylic acid
CID 105438509
6-Fluoro-imidazo[1,5-a]pyridine-1-carboxylic acid
CID 130047333
Methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate
CID 130066471
3-Pyridin-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752051
3-Morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 57436268
7-Chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83869335
7-Chloro-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83869336

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 157419022) is 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1ncn2ccc(Cl)c(F)c12.O=Cc1ncn2ccc(Cl)c(F)c12.
What is the InChIKey of 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is BPEOBBMNXYFYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O2.C8H4ClFN2O/c9-4-1-2-12-3-11-6(8(13)14)7(12)5(4)10;9-5-1-2-12-4-11-6(3-13)8(12)7(5)10/h1-3H,(H,13,14);1-4H.
What are the key properties of 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid?
7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 413.17 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carbaldehyde;7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 157419022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).