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

C14H12ClFN2O3 — CID 165443753

IUPACmethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)cc(-c2ccc(Cl)c(OC)c2F)n1
InChIInChI=1S/C14H12ClFN2O3/c1-20-13-9(15)4-3-8(12(13)16)10-5-7(17)6-11(18-10)14(19)21-2/h3-6H,1-2H3,(H2,17,18)
InChIKeyLHKDIEJPIYCDKH-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.92
Rot. Bonds3

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

methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate (PubChem CID 165443753) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
PubChem CID165443753
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)cc(-c2ccc(Cl)c(OC)c2F)n1
InChIInChI=1S/C14H12ClFN2O3/c1-20-13-9(15)4-3-8(12(13)16)10-5-7(17)6-11(18-10)14(19)21-2/h3-6H,1-2H3,(H2,17,18)
InChIKeyLHKDIEJPIYCDKH-UHFFFAOYSA-N
XLogP2.92
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 70495450
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CID 25181547
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CID 67420724
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CID 70496188
CID 70496188
CID 86709868
CID 86709868
CID 134586705
CID 134586705
CID 118973492
CID 118973492
CID 155145846
CID 155145846
CID 155154218
CID 155154218
CID 57412076
CID 57412076
CID 91721004
CID 91721004

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate (CID 165443753) is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate is COC(=O)c1cc(N)cc(-c2ccc(Cl)c(OC)c2F)n1.
What is the InChIKey of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate?
The InChIKey is LHKDIEJPIYCDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-20-13-9(15)4-3-8(12(13)16)10-5-7(17)6-11(18-10)14(19)21-2/h3-6H,1-2H3,(H2,17,18).
What are the key properties of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate?
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate has a molecular weight of 310.71 g/mol, XLogP of 2.92, 3 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)pyridine-2-carboxylate is sourced from PubChem (CID 165443753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).