2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

C15H12ClF3N2 — CID 1479265

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)(F)c1cnc(N2CCc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C15H12ClF3N2/c16-13-7-12(15(17,18)19)8-20-14(13)21-6-5-10-3-1-2-4-11(10)9-21/h1-4,7-8H,5-6,9H2
InChIKeyYUKKQLSTIWQAJP-UHFFFAOYSA-N
MW312.72 g/mol
LogP4.32
Rot. Bonds1

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 1479265) has the molecular formula C15H12ClF3N2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID1479265
Molecular FormulaC15H12ClF3N2
Molecular Weight312.72 g/mol
Exact Mass312.06
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)(F)c1cnc(N2CCc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C15H12ClF3N2/c16-13-7-12(15(17,18)19)8-20-14(13)21-6-5-10-3-1-2-4-11(10)9-21/h1-4,7-8H,5-6,9H2
InChIKeyYUKKQLSTIWQAJP-UHFFFAOYSA-N
XLogP4.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 1479265) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is FC(F)(F)c1cnc(N2CCc3ccccc3C2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is YUKKQLSTIWQAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2/c16-13-7-12(15(17,18)19)8-20-14(13)21-6-5-10-3-1-2-4-11(10)9-21/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 312.72 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 1479265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).