1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid

C14H12ClFN2O2 — CID 117248007

IUPAC1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2c(Cl)nc(-c3ccc(F)cc3)n21
InChIInChI=1S/C14H12ClFN2O2/c15-12-10-2-1-3-11(14(19)20)18(10)13(17-12)8-4-6-9(16)7-5-8/h4-7,11H,1-3H2,(H,19,20)
InChIKeyWTZZFCMFGZJEIE-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.30
Rot. Bonds2

About 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid

1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117248007) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117248007
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2c(Cl)nc(-c3ccc(F)cc3)n21
InChIInChI=1S/C14H12ClFN2O2/c15-12-10-2-1-3-11(14(19)20)18(10)13(17-12)8-4-6-9(16)7-5-8/h4-7,11H,1-3H2,(H,19,20)
InChIKeyWTZZFCMFGZJEIE-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117247940
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 137005446
1-chloro-5-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248055
1-chloro-3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
CID 117248031
9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 115036384
3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248073
3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247715
3-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247620
3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005447
(2R)-1-[6-(4-fluorophenyl)-5-nitro-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122051682
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149418
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122058968

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (CID 117248007) is 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2c(Cl)nc(-c3ccc(F)cc3)n21.
What is the InChIKey of 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is WTZZFCMFGZJEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-12-10-2-1-3-11(14(19)20)18(10)13(17-12)8-4-6-9(16)7-5-8/h4-7,11H,1-3H2,(H,19,20).
What are the key properties of 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 294.71 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117248007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).