7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile

C10H6F3N3O — CID 170737162

IUPAC7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESCOc1ncc(C(F)(F)F)c2c(C#N)c[nH]c12
InChIInChI=1S/C10H6F3N3O/c1-17-9-8-7(5(2-14)3-15-8)6(4-16-9)10(11,12)13/h3-4,15H,1H3
InChIKeyBRJNMOJEPQWERG-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.46
Rot. Bonds1

About 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile

7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile (PubChem CID 170737162) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
PubChem CID170737162
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESCOc1ncc(C(F)(F)F)c2c(C#N)c[nH]c12
InChIInChI=1S/C10H6F3N3O/c1-17-9-8-7(5(2-14)3-15-8)6(4-16-9)10(11,12)13/h3-4,15H,1H3
InChIKeyBRJNMOJEPQWERG-UHFFFAOYSA-N
XLogP2.46
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile (CID 170737162) is 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile is COc1ncc(C(F)(F)F)c2c(C#N)c[nH]c12.
What is the InChIKey of 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
The InChIKey is BRJNMOJEPQWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c1-17-9-8-7(5(2-14)3-15-8)6(4-16-9)10(11,12)13/h3-4,15H,1H3.
What are the key properties of 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile has a molecular weight of 241.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 170737162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).