[4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate

C14H10BrClF2N2O4 — CID 87392684

IUPAC[4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1nc(-c2c(F)cc(Br)c(OC)c2F)cc(N)c1Cl
InChIInChI=1S/C14H10BrClF2N2O4/c1-22-12-5(15)3-6(17)9(11(12)18)8-4-7(19)10(16)13(20-8)24-14(21)23-2/h3-4H,1-2H3,(H2,19,20)
InChIKeyUVAMKXWNXNVOKN-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.18
Rot. Bonds3

About [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate

[4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate (PubChem CID 87392684) has the molecular formula C14H10BrClF2N2O4 and a molecular weight of 423.60 g/mol. Its IUPAC name is [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate.

Molecular Properties

Compound Name[4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate
PubChem CID87392684
Molecular FormulaC14H10BrClF2N2O4
Molecular Weight423.60 g/mol
Exact Mass421.95
IUPAC Name[4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1nc(-c2c(F)cc(Br)c(OC)c2F)cc(N)c1Cl
InChIInChI=1S/C14H10BrClF2N2O4/c1-22-12-5(15)3-6(17)9(11(12)18)8-4-7(19)10(16)13(20-8)24-14(21)23-2/h3-4H,1-2H3,(H2,19,20)
InChIKeyUVAMKXWNXNVOKN-UHFFFAOYSA-N
XLogP4.18
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylsulfonylphenyl)-2-pyridinyl] methyl carbonate
CID 67420061
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate
CID 68648426
[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate
CID 67419635
[4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 121375150
[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate
CID 67418556
4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide
CID 63187979
[4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419853
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine
CID 117488856
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 76853151
4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid
CID 150425792

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate?
The IUPAC name of [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate (CID 87392684) is [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate.
What is the SMILES notation for [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate?
The canonical SMILES for [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate is COC(=O)Oc1nc(-c2c(F)cc(Br)c(OC)c2F)cc(N)c1Cl.
What is the InChIKey of [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate?
The InChIKey is UVAMKXWNXNVOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2N2O4/c1-22-12-5(15)3-6(17)9(11(12)18)8-4-7(19)10(16)13(20-8)24-14(21)23-2/h3-4H,1-2H3,(H2,19,20).
What are the key properties of [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate?
[4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate has a molecular weight of 423.60 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate is sourced from PubChem (CID 87392684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).