1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one

C27H20Cl4N2O — CID 175279063

IUPAC1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one
SMILESO=C(CC(c1ccc(Cl)cc1)c1cc(Cl)ccn1)CC(c1ccc(Cl)cc1)c1cc(Cl)ccn1
InChIInChI=1S/C27H20Cl4N2O/c28-19-5-1-17(2-6-19)24(26-13-21(30)9-11-32-26)15-23(34)16-25(18-3-7-20(29)8-4-18)27-14-22(31)10-12-33-27/h1-14,24-25H,15-16H2
InChIKeyQLVXMHIGHMGBRM-UHFFFAOYSA-N
MW530.28 g/mol
LogP8.40
Rot. Bonds8

About 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one

1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one (PubChem CID 175279063) has the molecular formula C27H20Cl4N2O and a molecular weight of 530.28 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one
PubChem CID175279063
Molecular FormulaC27H20Cl4N2O
Molecular Weight530.28 g/mol
Exact Mass528.03
IUPAC Name1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one
SMILESO=C(CC(c1ccc(Cl)cc1)c1cc(Cl)ccn1)CC(c1ccc(Cl)cc1)c1cc(Cl)ccn1
InChIInChI=1S/C27H20Cl4N2O/c28-19-5-1-17(2-6-19)24(26-13-21(30)9-11-32-26)15-23(34)16-25(18-3-7-20(29)8-4-18)27-14-22(31)10-12-33-27/h1-14,24-25H,15-16H2
InChIKeyQLVXMHIGHMGBRM-UHFFFAOYSA-N
XLogP8.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.28
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 138546971
(1S,5S)-1,5-dibromo-1,5-bis(4-chlorophenyl)pentan-3-one
CID 174623218
[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
CID 155128689
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 110004659
[(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate
CID 101372660
3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol
CID 170827537
(6S)-6-(4-chloro-2-pyridinyl)-6-methoxyhexanoic acid
CID 155205883
(3R)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;2-hydroxybutanedioic acid
CID 69128691
3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82486458
methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863547
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
3-(4-bromophenyl)-3-(4-chloro-2-fluorophenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 66666708

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one?
The IUPAC name of 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one (CID 175279063) is 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one is O=C(CC(c1ccc(Cl)cc1)c1cc(Cl)ccn1)CC(c1ccc(Cl)cc1)c1cc(Cl)ccn1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one?
The InChIKey is QLVXMHIGHMGBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl4N2O/c28-19-5-1-17(2-6-19)24(26-13-21(30)9-11-32-26)15-23(34)16-25(18-3-7-20(29)8-4-18)27-14-22(31)10-12-33-27/h1-14,24-25H,15-16H2.
What are the key properties of 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one?
1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one has a molecular weight of 530.28 g/mol, XLogP of 8.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one is sourced from PubChem (CID 175279063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).