2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride

C21H18Cl2F2N2O4 — CID 131986046

IUPAC2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride
SMILESCOc1cn(C(Cc2ccccn2)C(=O)O)c(=O)cc1-c1cc(Cl)ccc1C(F)F.Cl
InChIInChI=1S/C21H17ClF2N2O4.ClH/c1-30-18-11-26(17(21(28)29)9-13-4-2-3-7-25-13)19(27)10-16(18)15-8-12(22)5-6-14(15)20(23)24;/h2-8,10-11,17,20H,9H2,1H3,(H,28,29);1H
InChIKeyMZSUQZTYNYQBMN-UHFFFAOYSA-N
MW471.29 g/mol
LogP4.80
Rot. Bonds7

About 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride

2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride (PubChem CID 131986046) has the molecular formula C21H18Cl2F2N2O4 and a molecular weight of 471.29 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride
PubChem CID131986046
Molecular FormulaC21H18Cl2F2N2O4
Molecular Weight471.29 g/mol
Exact Mass470.06
IUPAC Name2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride
SMILESCOc1cn(C(Cc2ccccn2)C(=O)O)c(=O)cc1-c1cc(Cl)ccc1C(F)F.Cl
InChIInChI=1S/C21H17ClF2N2O4.ClH/c1-30-18-11-26(17(21(28)29)9-13-4-2-3-7-25-13)19(27)10-16(18)15-8-12(22)5-6-14(15)20(23)24;/h2-8,10-11,17,20H,9H2,1H3,(H,28,29);1H
InChIKeyMZSUQZTYNYQBMN-UHFFFAOYSA-N
XLogP4.80
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.29
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoate
CID 118978470
4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]-2-fluorobenzamide
CID 118978479
2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 122550195
2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
CID 135205913
2-[4-[5-chloro-2-(1,2,4-triazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid
CID 135205840
2-[4-[2-(1-amino-4,4-difluoro-3-oxobut-1-enyl)-5-chlorophenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoic acid
CID 147065707
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
CID 135205382
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118845
4-[[2-[4-(5-chloro-2-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]benzoic acid
CID 155323174
2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid
CID 134323721
4-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methoxyphenyl)propanoyl]amino]benzoic acid
CID 134323491
[3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid
CID 138687207

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride (CID 131986046) is 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride is COc1cn(C(Cc2ccccn2)C(=O)O)c(=O)cc1-c1cc(Cl)ccc1C(F)F.Cl.
What is the InChIKey of 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride?
The InChIKey is MZSUQZTYNYQBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O4.ClH/c1-30-18-11-26(17(21(28)29)9-13-4-2-3-7-25-13)19(27)10-16(18)15-8-12(22)5-6-14(15)20(23)24;/h2-8,10-11,17,20H,9H2,1H3,(H,28,29);1H.
What are the key properties of 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride?
2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride has a molecular weight of 471.29 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 131986046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).