6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane

C13H16ClF3N2 — CID 144632988

IUPAC6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane
SMILESCC.Cc1cn(C(C)C(F)(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C11H10ClF3N2.C2H6/c1-6-5-17(7(2)11(13,14)15)9-3-10(12)16-4-8(6)9;1-2/h3-5,7H,1-2H3;1-2H3
InChIKeyKOIKFFSXUKDTQZ-UHFFFAOYSA-N
MW292.73 g/mol
LogP5.15
Rot. Bonds1

About 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane

6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane (PubChem CID 144632988) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane.

Molecular Properties

Compound Name6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane
PubChem CID144632988
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane
SMILESCC.Cc1cn(C(C)C(F)(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C11H10ClF3N2.C2H6/c1-6-5-17(7(2)11(13,14)15)9-3-10(12)16-4-8(6)9;1-2/h3-5,7H,1-2H3;1-2H3
InChIKeyKOIKFFSXUKDTQZ-UHFFFAOYSA-N
XLogP5.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.73
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)indolizine
CID 346941
1-[(6-Chloropyridin-3-yl)methyl]indole
CID 3805426
(E)-4-(2-(5-chloro-1-methyl-1H-indol-3-yl)vinyl)-1-methylpyridin-1-ium iodide
CID 24761059
2-(3-Chlorophenyl)indolizine
CID 868222
3-Chloro-1-(3-pyridylmethyl)-6-[3-
CID 124176464
(Z)-4-(5-chloro-2-methyl-3-(pyridin-3-yl)-1H-indol-1-yl)-3-fluorobut-2-en-1-amine
CID 130302625
(Z)-4-(5-chloro-2-methyl-3-(pyridin-4-yl)-1H-indol-1-yl)-3-fluorobut-2-en-1-amine
CID 130340808
6-Chloro-3-((4-methyl-1-piperazinyl)methyl)-1H-pyrrolo(3,2-c)pyridine
CID 5746390
1-benzyl-6-chloro-1H-pyrrolo(3,2-c)pyridine-7-carbonitrile
CID 12490983
6-Chloro-1H-pyrrolo(3,2-c)pyridine
CID 12575516
7-chloro-1-methyl-1H-pyrrolo[2,3-c]pyridine
CID 59424476
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole
CID 1483806

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane?
The IUPAC name of 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane (CID 144632988) is 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane.
What is the SMILES notation for 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane?
The canonical SMILES for 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane is CC.Cc1cn(C(C)C(F)(F)F)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane?
The InChIKey is KOIKFFSXUKDTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2.C2H6/c1-6-5-17(7(2)11(13,14)15)9-3-10(12)16-4-8(6)9;1-2/h3-5,7H,1-2H3;1-2H3.
What are the key properties of 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane?
6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane has a molecular weight of 292.73 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolo[3,2-c]pyridine;ethane is sourced from PubChem (CID 144632988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).