methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate

C32H24ClFN2O3 — CID 135069783

IUPACmethyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(F)c2)c(-c2ccc(Cl)cc2)c(N)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H24ClFN2O3/c1-38-32(37)31-28(22-12-16-26(17-13-22)39-19-20-6-3-2-4-7-20)29(35)27(21-10-14-24(33)15-11-21)30(36-31)23-8-5-9-25(34)18-23/h2-18H,19H2,1H3,(H2,35,36)
InChIKeyVFCFQINVMFHLCP-UHFFFAOYSA-N
MW539.01 g/mol
LogP7.82
Rot. Bonds7

About methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate

methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate (PubChem CID 135069783) has the molecular formula C32H24ClFN2O3 and a molecular weight of 539.01 g/mol. Its IUPAC name is methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate
PubChem CID135069783
Molecular FormulaC32H24ClFN2O3
Molecular Weight539.01 g/mol
Exact Mass538.15
IUPAC Namemethyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(F)c2)c(-c2ccc(Cl)cc2)c(N)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H24ClFN2O3/c1-38-32(37)31-28(22-12-16-26(17-13-22)39-19-20-6-3-2-4-7-20)29(35)27(21-10-14-24(33)15-11-21)30(36-31)23-8-5-9-25(34)18-23/h2-18H,19H2,1H3,(H2,35,36)
InChIKeyVFCFQINVMFHLCP-UHFFFAOYSA-N
XLogP7.82
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.01
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Florpyrauxifen-benzyl
CID 70495450
2-Pyridinecarboxylic acid, 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-, phenylmethyl ester, hydrochloride (1:1)
CID 134586705
Methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropicolinate
CID 57412076
(4-Fluorophenyl)methyl 6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 21113000
Methyl 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-5-fluoropyridine-2-carboxylate
CID 22677300
Benzyl 4-amino-3-chloro-6-(4-chloro-3-ethoxy-2-fluorophenyl)-5-fluoropicolinate
CID 57412075
Ethyl 6-[2-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 57861980
6-[2-[2-[(4-Chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 57862185
6-[2-[2-[(4-Chloro-2-fluorophenyl)methoxy]-5-methylphenyl]cyclopenten-1-yl]-4-(trifluoromethyl)pyridine-2-carboxylate
CID 57862438
Ethyl 6-[2-[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 57862634
Ethyl 6-[2-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]cyclopenten-1-yl]-4-(trifluoromethyl)pyridine-2-carboxylate
CID 57862676
6-[2-[2-[(4-Chlorophenyl)methoxy]-5-fluorophenyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 57862711

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate (CID 135069783) is methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2cccc(F)c2)c(-c2ccc(Cl)cc2)c(N)c1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate?
The InChIKey is VFCFQINVMFHLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24ClFN2O3/c1-38-32(37)31-28(22-12-16-26(17-13-22)39-19-20-6-3-2-4-7-20)29(35)27(21-10-14-24(33)15-11-21)30(36-31)23-8-5-9-25(34)18-23/h2-18H,19H2,1H3,(H2,35,36).
What are the key properties of methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate?
methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate has a molecular weight of 539.01 g/mol, XLogP of 7.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 135069783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).