1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione — IUPAC name, SMILES, InChIKey & properties

Name: 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione

1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 162237562) has the molecular formula C78H61Cl5F5N5O11 and a molecular weight of 1516.62 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name	1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
PubChem CID	162237562
Molecular Formula	C78H61Cl5F5N5O11
Molecular Weight	1516.62 g/mol
Exact Mass	1513.27
IUPAC Name	1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
SMILES	COc1ccccc1C(=O)CCC(=O)c1ncccc1Cl.Cc1ccccc1C(=O)CCC(=O)c1ncccc1Cl.O=C(CCC(=O)c1ncccc1Cl)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1Cl)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ncccc1Cl)c1ccccc1F
InChI	InChI=1S/C16H11ClF3NO2.C16H14ClNO3.C16H14ClNO2.2C15H11ClFNO2/c17-12-6-3-9-21-15(12)14(23)8-7-13(22)10-4-1-2-5-11(10)16(18,19)20;1-21-15-7-3-2-5-11(15)13(19)8-9-14(20)16-12(17)6-4-10-18-16;1-11-5-2-3-6-12(11)14(19)8-9-15(20)16-13(17)7-4-10-18-16;16-12-5-2-8-18-15(12)14(20)7-6-13(19)10-3-1-4-11(17)9-10;16-11-5-3-9-18-15(11)14(20)8-7-13(19)10-4-1-2-6-12(10)17/h1-6,9H,7-8H2;2-7,10H,8-9H2,1H3;2-7,10H,8-9H2,1H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2
InChIKey	ZWGPRBWFRDCXEY-UHFFFAOYSA-N
XLogP	19.52
TPSA	244.38 Å²
H-Bond Donors
H-Bond Acceptors	16
Rotatable Bonds	26
Heavy Atoms	104
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1516.62
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Analyze 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

The IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (CID 162237562) is 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.

What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

The canonical SMILES for 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is COc1ccccc1C(=O)CCC(=O)c1ncccc1Cl.Cc1ccccc1C(=O)CCC(=O)c1ncccc1Cl.O=C(CCC(=O)c1ncccc1Cl)c1cccc(F)c1.O=C(CCC(=O)c1ncccc1Cl)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ncccc1Cl)c1ccccc1F.

What is the InChIKey of 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

The InChIKey is ZWGPRBWFRDCXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2.C16H14ClNO3.C16H14ClNO2.2C15H11ClFNO2/c17-12-6-3-9-21-15(12)14(23)8-7-13(22)10-4-1-2-5-11(10)16(18,19)20;1-21-15-7-3-2-5-11(15)13(19)8-9-14(20)16-12(17)6-4-10-18-16;1-11-5-2-3-6-12(11)14(19)8-9-15(20)16-13(17)7-4-10-18-16;16-12-5-2-8-18-15(12)14(20)7-6-13(19)10-3-1-4-11(17)9-10;16-11-5-3-9-18-15(11)14(20)8-7-13(19)10-4-1-2-6-12(10)17/h1-6,9H,7-8H2;2-7,10H,8-9H2,1H3;2-7,10H,8-9H2,1H3;1-5,8-9H,6-7H2;1-6,9H,7-8H2.

What are the key properties of 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

Where does this data come from?

All data for 1-(3-chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 162237562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).