2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine

C20H16ClNO — CID 71568113

IUPAC2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine
SMILESClc1ccc([C@H]2C[C@H](c3ccccn3)Oc3ccccc32)cc1
InChIInChI=1S/C20H16ClNO/c21-15-10-8-14(9-11-15)17-13-20(18-6-3-4-12-22-18)23-19-7-2-1-5-16(17)19/h1-12,17,20H,13H2/t17-,20-/m1/s1
InChIKeyCETMAUATNOLDRR-YLJYHZDGSA-N
MW321.81 g/mol
LogP5.39
Rot. Bonds2

About 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine

2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine (PubChem CID 71568113) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine
PubChem CID71568113
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine
SMILESClc1ccc([C@H]2C[C@H](c3ccccn3)Oc3ccccc32)cc1
InChIInChI=1S/C20H16ClNO/c21-15-10-8-14(9-11-15)17-13-20(18-6-3-4-12-22-18)23-19-7-2-1-5-16(17)19/h1-12,17,20H,13H2/t17-,20-/m1/s1
InChIKeyCETMAUATNOLDRR-YLJYHZDGSA-N
XLogP5.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine
CID 71567723
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine
CID 45115080
2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
CID 19895611
(2R)-2-pyridin-2-yl-3,4-dihydro-2H-chromen-5-ol
CID 129364109
(2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene
CID 164681206
(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine
CID 5399086
(5S,10bS)-2-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 93233073
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1,3,2-benzoxazaborinine
CID 139692077
2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
CID 19895591
N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
CID 20560227
2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 13484536

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine?
The IUPAC name of 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine (CID 71568113) is 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine.
What is the SMILES notation for 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine?
The canonical SMILES for 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine is Clc1ccc([C@H]2C[C@H](c3ccccn3)Oc3ccccc32)cc1.
What is the InChIKey of 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine?
The InChIKey is CETMAUATNOLDRR-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-15-10-8-14(9-11-15)17-13-20(18-6-3-4-12-22-18)23-19-7-2-1-5-16(17)19/h1-12,17,20H,13H2/t17-,20-/m1/s1.
What are the key properties of 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine?
2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine has a molecular weight of 321.81 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine is sourced from PubChem (CID 71568113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).