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

C14H10ClF3N2 — CID 102716446

IUPAC7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFC(F)(F)c1cc(Cl)nc(C2CCc3cccnc32)c1
InChIInChI=1S/C14H10ClF3N2/c15-12-7-9(14(16,17)18)6-11(20-12)10-4-3-8-2-1-5-19-13(8)10/h1-2,5-7,10H,3-4H2
InChIKeyDKSINLSKCZHKJI-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.23
Rot. Bonds1

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

7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 102716446) has the molecular formula C14H10ClF3N2 and a molecular weight of 298.70 g/mol. Its IUPAC name is 7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID102716446
Molecular FormulaC14H10ClF3N2
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFC(F)(F)c1cc(Cl)nc(C2CCc3cccnc32)c1
InChIInChI=1S/C14H10ClF3N2/c15-12-7-9(14(16,17)18)6-11(20-12)10-4-3-8-2-1-5-19-13(8)10/h1-2,5-7,10H,3-4H2
InChIKeyDKSINLSKCZHKJI-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.23
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

7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 114563116
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
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone
CID 79732735
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylpyrimidin-4-amine
CID 80936065
7-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79721469
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
CID 115783797
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpyridin-3-amine
CID 114049651
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 79732380
4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769456

Frequently Asked Questions

What is the IUPAC name of 7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 102716446) is 7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine is FC(F)(F)c1cc(Cl)nc(C2CCc3cccnc32)c1.
What is the InChIKey of 7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is DKSINLSKCZHKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2/c15-12-7-9(14(16,17)18)6-11(20-12)10-4-3-8-2-1-5-19-13(8)10/h1-2,5-7,10H,3-4H2.
What are the key properties of 7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 298.70 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 102716446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).