methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate

C16H14ClFN2O3 — CID 59432114

IUPACmethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate
SMILESC=Cc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)OC
InChIInChI=1S/C16H14ClFN2O3/c1-4-8-11(19)7-12(20-14(8)16(21)23-3)9-5-6-10(17)15(22-2)13(9)18/h4-7H,1H2,2-3H3,(H2,19,20)
InChIKeyBSAZKZAEGBAMQR-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.56
Rot. Bonds4

About methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate

methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate (PubChem CID 59432114) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate
PubChem CID59432114
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate
SMILESC=Cc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)OC
InChIInChI=1S/C16H14ClFN2O3/c1-4-8-11(19)7-12(20-14(8)16(21)23-3)9-5-6-10(17)15(22-2)13(9)18/h4-7H,1H2,2-3H3,(H2,19,20)
InChIKeyBSAZKZAEGBAMQR-UHFFFAOYSA-N
XLogP3.56
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate (CID 59432114) is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate is C=Cc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)OC.
What is the InChIKey of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate?
The InChIKey is BSAZKZAEGBAMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-4-8-11(19)7-12(20-14(8)16(21)23-3)9-5-6-10(17)15(22-2)13(9)18/h4-7H,1H2,2-3H3,(H2,19,20).
What are the key properties of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate?
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate has a molecular weight of 336.75 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylate is sourced from PubChem (CID 59432114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).