1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one

C14H7Cl2F3N2O — CID 175883363

IUPAC1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one
SMILESO=C1C(c2ccnc(Cl)c2)c2ccc(C(F)(F)F)cc2N1Cl
InChIInChI=1S/C14H7Cl2F3N2O/c15-11-5-7(3-4-20-11)12-9-2-1-8(14(17,18)19)6-10(9)21(16)13(12)22/h1-6,12H
InChIKeyDVHGQEZFLNMSHY-UHFFFAOYSA-N
MW347.12 g/mol
LogP4.39
Rot. Bonds1

About 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one

1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one (PubChem CID 175883363) has the molecular formula C14H7Cl2F3N2O and a molecular weight of 347.12 g/mol. Its IUPAC name is 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one
PubChem CID175883363
Molecular FormulaC14H7Cl2F3N2O
Molecular Weight347.12 g/mol
Exact Mass345.99
IUPAC Name1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one
SMILESO=C1C(c2ccnc(Cl)c2)c2ccc(C(F)(F)F)cc2N1Cl
InChIInChI=1S/C14H7Cl2F3N2O/c15-11-5-7(3-4-20-11)12-9-2-1-8(14(17,18)19)6-10(9)21(16)13(12)22/h1-6,12H
InChIKeyDVHGQEZFLNMSHY-UHFFFAOYSA-N
XLogP4.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.12
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one (CID 175883363) is 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one is O=C1C(c2ccnc(Cl)c2)c2ccc(C(F)(F)F)cc2N1Cl.
What is the InChIKey of 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is DVHGQEZFLNMSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O/c15-11-5-7(3-4-20-11)12-9-2-1-8(14(17,18)19)6-10(9)21(16)13(12)22/h1-6,12H.
What are the key properties of 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one?
1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 347.12 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chloro-4-pyridinyl)-6-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 175883363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).