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

C10H9F3N2O — CID 170736978

IUPAC7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1ncc(C(F)(F)F)c2c(C)c[nH]c12
InChIInChI=1S/C10H9F3N2O/c1-5-3-14-8-7(5)6(10(11,12)13)4-15-9(8)16-2/h3-4,14H,1-2H3
InChIKeyAXCZNTWILDCALQ-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.90
Rot. Bonds1

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

7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 170736978) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID170736978
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1ncc(C(F)(F)F)c2c(C)c[nH]c12
InChIInChI=1S/C10H9F3N2O/c1-5-3-14-8-7(5)6(10(11,12)13)4-15-9(8)16-2/h3-4,14H,1-2H3
InChIKeyAXCZNTWILDCALQ-UHFFFAOYSA-N
XLogP2.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine (CID 170736978) is 7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine is COc1ncc(C(F)(F)F)c2c(C)c[nH]c12.
What is the InChIKey of 7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is AXCZNTWILDCALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-5-3-14-8-7(5)6(10(11,12)13)4-15-9(8)16-2/h3-4,14H,1-2H3.
What are the key properties of 7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine?
7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 230.19 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 170736978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).