3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C14H8F3N3O2 — CID 59848497

IUPAC3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2cnccc2C(F)(F)F)n2ccccc12
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)9-4-5-18-7-8(9)12-19-11(13(21)22)10-3-1-2-6-20(10)12/h1-7H,(H,21,22)
InChIKeyJQDCTQZNXYZQAH-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.11
Rot. Bonds2

About 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid

3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 59848497) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID59848497
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2cnccc2C(F)(F)F)n2ccccc12
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)9-4-5-18-7-8(9)12-19-11(13(21)22)10-3-1-2-6-20(10)12/h1-7H,(H,21,22)
InChIKeyJQDCTQZNXYZQAH-UHFFFAOYSA-N
XLogP3.11
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
4-(3H-imidazo[4,5-b]pyridin-3-ylmethyl)benzoic acid
CID 16027762
4-[6-(3-Fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid
CID 134810646
2,7-Dimethylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 2736254
US9550771, Example 6
CID 117964931
US9550771, Example 11
CID 117964994
US9550771, Example 10
CID 117965002
US10087188, Example 29
CID 121455807
US9550771, Example 15
CID 122529826
US9550771, Example 5
CID 122529830
US9550771, Example 14
CID 122529833
Methyl imidazo[1,5-a]pyridine-1-carboxylate
CID 57245894

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 59848497) is 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(-c2cnccc2C(F)(F)F)n2ccccc12.
What is the InChIKey of 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is JQDCTQZNXYZQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)9-4-5-18-7-8(9)12-19-11(13(21)22)10-3-1-2-6-20(10)12/h1-7H,(H,21,22).
What are the key properties of 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 307.23 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 59848497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).