benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate

C20H16ClFN2O2 — CID 123351569

IUPACbenzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCc3ccccc3)c(Cl)c(N)c2F)cc1
InChIInChI=1S/C20H16ClFN2O2/c1-12-7-9-14(10-8-12)18-16(22)17(23)15(21)19(24-18)20(25)26-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,23,24)
InChIKeyRURYZXGWZKCNGY-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.79
Rot. Bonds4

About benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate

benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate (PubChem CID 123351569) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate
PubChem CID123351569
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Namebenzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCc3ccccc3)c(Cl)c(N)c2F)cc1
InChIInChI=1S/C20H16ClFN2O2/c1-12-7-9-14(10-8-12)18-16(22)17(23)15(21)19(24-18)20(25)26-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,23,24)
InChIKeyRURYZXGWZKCNGY-UHFFFAOYSA-N
XLogP4.79
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-chloro-5,6-difluoro-4-methylpyridine-2-carboxylate
CID 146489593
benzyl 4-amino-3-chloro-6-(4-chloro-3-ethoxy-2-fluorophenyl)-5-fluoropyridine-2-carboxylate
CID 57412075
benzyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
CID 118940019
ethyl 4-amino-3-chloro-6-(4-cyclopropylphenyl)-5-fluoropyridine-2-carboxylate
CID 70496775
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
CID 78319096
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
[4-(trifluoromethyl)phenyl]methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
CID 88857410
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
CID 144501776
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate
CID 10272079
(2-methoxycarbonylphenyl)methyl 4-amino-3-chloro-5-fluoro-6-[2-fluoro-4-(iodomethyl)-3-methoxyphenyl]pyridine-2-carboxylate
CID 118258665
benzyl 3-phenylquinoxaline-2-carboxylate
CID 132508697

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate?
The IUPAC name of benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate (CID 123351569) is benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate?
The canonical SMILES for benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate is Cc1ccc(-c2nc(C(=O)OCc3ccccc3)c(Cl)c(N)c2F)cc1.
What is the InChIKey of benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate?
The InChIKey is RURYZXGWZKCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c1-12-7-9-14(10-8-12)18-16(22)17(23)15(21)19(24-18)20(25)26-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,23,24).
What are the key properties of benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate?
benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate has a molecular weight of 370.81 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 123351569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).