1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

C16H10ClF3N4 — CID 122654337

IUPAC1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H10ClF3N4/c1-8-4-9-2-3-13(16(18,19)20)22-15(9)24(8)11-5-10-7-21-23-14(10)12(17)6-11/h2-7H,1H3,(H,21,23)
InChIKeyGBWHPNABVPMATA-UHFFFAOYSA-N
MW350.73 g/mol
LogP4.88
Rot. Bonds1

About 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (PubChem CID 122654337) has the molecular formula C16H10ClF3N4 and a molecular weight of 350.73 g/mol. Its IUPAC name is 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
PubChem CID122654337
Molecular FormulaC16H10ClF3N4
Molecular Weight350.73 g/mol
Exact Mass350.05
IUPAC Name1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H10ClF3N4/c1-8-4-9-2-3-13(16(18,19)20)22-15(9)24(8)11-5-10-7-21-23-14(10)12(17)6-11/h2-7H,1H3,(H,21,23)
InChIKeyGBWHPNABVPMATA-UHFFFAOYSA-N
XLogP4.88
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.73
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (CID 122654337) is 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is Cc1cc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is GBWHPNABVPMATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4/c1-8-4-9-2-3-13(16(18,19)20)22-15(9)24(8)11-5-10-7-21-23-14(10)12(17)6-11/h2-7H,1H3,(H,21,23).
What are the key properties of 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 350.73 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122654337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).