[4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate

C15H10Cl2F2N2O5 — CID 121375150

IUPAC[4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCOc1c(F)cc(F)c(-c2cc(NC(C)=O)c(Cl)c(OC(=O)O)n2)c1Cl
InChIInChI=1S/C15H10Cl2F2N2O5/c1-5(22)20-9-4-8(21-14(11(9)16)26-15(23)24)10-6(18)3-7(19)13(25-2)12(10)17/h3-4H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyMTMJKSYAZZCGMP-UHFFFAOYSA-N
MW407.16 g/mol
LogP4.36
Rot. Bonds4

About [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate

[4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate (PubChem CID 121375150) has the molecular formula C15H10Cl2F2N2O5 and a molecular weight of 407.16 g/mol. Its IUPAC name is [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
PubChem CID121375150
Molecular FormulaC15H10Cl2F2N2O5
Molecular Weight407.16 g/mol
Exact Mass405.99
IUPAC Name[4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCOc1c(F)cc(F)c(-c2cc(NC(C)=O)c(Cl)c(OC(=O)O)n2)c1Cl
InChIInChI=1S/C15H10Cl2F2N2O5/c1-5(22)20-9-4-8(21-14(11(9)16)26-15(23)24)10-6(18)3-7(19)13(25-2)12(10)17/h3-4H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyMTMJKSYAZZCGMP-UHFFFAOYSA-N
XLogP4.36
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.16
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate with MolForge

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Related Compounds

[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate
CID 67419635
[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate
CID 121375195
[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate
CID 67418556
[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(2,2,2-trifluoroacetyl)phenyl]-2-pyridinyl] hydrogen carbonate
CID 121375161
[4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate
CID 87392684
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
methyl 4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylate
CID 68600593
4-amino-3-chloro-5-(2-chloro-4,6-difluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
CID 87583922
1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone
CID 84786410
6-(4-acetamido-5-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
CID 90416355
4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 141178493
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937

Frequently Asked Questions

What is the IUPAC name of [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate (CID 121375150) is [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate is COc1c(F)cc(F)c(-c2cc(NC(C)=O)c(Cl)c(OC(=O)O)n2)c1Cl.
What is the InChIKey of [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
The InChIKey is MTMJKSYAZZCGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2O5/c1-5(22)20-9-4-8(21-14(11(9)16)26-15(23)24)10-6(18)3-7(19)13(25-2)12(10)17/h3-4H,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
[4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate has a molecular weight of 407.16 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 121375150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).