7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine

C13H9ClF3N3 — CID 114563116

IUPAC7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFC(F)(F)c1cc(C2CCc3cccnc32)nc(Cl)n1
InChIInChI=1S/C13H9ClF3N3/c14-12-19-9(6-10(20-12)13(15,16)17)8-4-3-7-2-1-5-18-11(7)8/h1-2,5-6,8H,3-4H2
InChIKeyNTSWYIKPMREJFK-UHFFFAOYSA-N
MW299.68 g/mol
LogP3.62
Rot. Bonds1

About 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine

7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 114563116) has the molecular formula C13H9ClF3N3 and a molecular weight of 299.68 g/mol. Its IUPAC name is 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID114563116
Molecular FormulaC13H9ClF3N3
Molecular Weight299.68 g/mol
Exact Mass299.04
IUPAC Name7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFC(F)(F)c1cc(C2CCc3cccnc32)nc(Cl)n1
InChIInChI=1S/C13H9ClF3N3/c14-12-19-9(6-10(20-12)13(15,16)17)8-4-3-7-2-1-5-18-11(7)8/h1-2,5-6,8H,3-4H2
InChIKeyNTSWYIKPMREJFK-UHFFFAOYSA-N
XLogP3.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 102716446
7-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952163
7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952013
7-(6-chloro-2-propylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80945467
7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79721469
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylpyrimidin-4-amine
CID 80936065
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpyridin-3-amine
CID 114049651
2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine
CID 132564090
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone
CID 79732735
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769456
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739169

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 114563116) is 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is FC(F)(F)c1cc(C2CCc3cccnc32)nc(Cl)n1.
What is the InChIKey of 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is NTSWYIKPMREJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3/c14-12-19-9(6-10(20-12)13(15,16)17)8-4-3-7-2-1-5-18-11(7)8/h1-2,5-6,8H,3-4H2.
What are the key properties of 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 299.68 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 114563116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).