3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine

C15H13ClFNO — CID 151788507

IUPAC3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cccc(COc2nc3c(cc2Cl)CCC3)c1
InChIInChI=1S/C15H13ClFNO/c16-13-8-11-4-2-6-14(11)18-15(13)19-9-10-3-1-5-12(17)7-10/h1,3,5,7-8H,2,4,6,9H2
InChIKeyRWCSPQOLHMBKEE-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.94
Rot. Bonds3

About 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine

3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 151788507) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID151788507
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cccc(COc2nc3c(cc2Cl)CCC3)c1
InChIInChI=1S/C15H13ClFNO/c16-13-8-11-4-2-6-14(11)18-15(13)19-9-10-3-1-5-12(17)7-10/h1,3,5,7-8H,2,4,6,9H2
InChIKeyRWCSPQOLHMBKEE-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methoxy]-3-methylpyrazine
CID 126954248
(E)-N-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine
CID 6229901
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 176551263
[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
2-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 141400148
2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline
CID 73335952
5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
CID 146470006
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
CID 112613744
2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine
CID 75452907
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 151788507) is 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine is Fc1cccc(COc2nc3c(cc2Cl)CCC3)c1.
What is the InChIKey of 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is RWCSPQOLHMBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-13-8-11-4-2-6-14(11)18-15(13)19-9-10-3-1-5-12(17)7-10/h1,3,5,7-8H,2,4,6,9H2.
What are the key properties of 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine?
3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 277.73 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 151788507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).