[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate

C13H9Cl2FN2O4 — CID 67419415

IUPAC[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCOc1c(Cl)ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)c1F
InChIInChI=1S/C13H9Cl2FN2O4/c1-21-11-6(14)3-2-5(10(11)16)8-4-7(17)9(15)12(18-8)22-13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyPOEIHURFZYGDPU-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.84
Rot. Bonds3

About [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate

[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate (PubChem CID 67419415) has the molecular formula C13H9Cl2FN2O4 and a molecular weight of 347.13 g/mol. Its IUPAC name is [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
PubChem CID67419415
Molecular FormulaC13H9Cl2FN2O4
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCOc1c(Cl)ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)c1F
InChIInChI=1S/C13H9Cl2FN2O4/c1-21-11-6(14)3-2-5(10(11)16)8-4-7(17)9(15)12(18-8)22-13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyPOEIHURFZYGDPU-UHFFFAOYSA-N
XLogP3.84
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
CID 66766863
[4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate
CID 67974691
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylsulfonylphenyl)-2-pyridinyl] methyl carbonate
CID 67420061
[4-amino-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)-2-pyridinyl] hydrogen carbonate
CID 67417652
[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate
CID 68648426
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-fluoroprop-2-enoxy)ethanone
CID 158247389
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone
CID 148662657
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-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate
CID 67417790
[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate
CID 121375195
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 165443753
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-N-[(4-chlorophenyl)methoxy]pyridine-2-carboxamide
CID 59471265

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate (CID 67419415) is [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate is COc1c(Cl)ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)c1F.
What is the InChIKey of [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
The InChIKey is POEIHURFZYGDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O4/c1-21-11-6(14)3-2-5(10(11)16)8-4-7(17)9(15)12(18-8)22-13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20).
What are the key properties of [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate has a molecular weight of 347.13 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67419415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).