[4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate

C13H10Cl2N2O4 — CID 67419978

IUPAC[4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCOc1ccc(-c2nc(OC(=O)O)c(Cl)c(N)c2Cl)cc1
InChIInChI=1S/C13H10Cl2N2O4/c1-20-7-4-2-6(3-5-7)11-8(14)10(16)9(15)12(17-11)21-13(18)19/h2-5H,1H3,(H2,16,17)(H,18,19)
InChIKeyIYEQAPCZFBRBSZ-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.70
Rot. Bonds3

About [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate

[4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate (PubChem CID 67419978) has the molecular formula C13H10Cl2N2O4 and a molecular weight of 329.14 g/mol. Its IUPAC name is [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
PubChem CID67419978
Molecular FormulaC13H10Cl2N2O4
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name[4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCOc1ccc(-c2nc(OC(=O)O)c(Cl)c(N)c2Cl)cc1
InChIInChI=1S/C13H10Cl2N2O4/c1-20-7-4-2-6(3-5-7)11-8(14)10(16)9(15)12(17-11)21-13(18)19/h2-5H,1H3,(H2,16,17)(H,18,19)
InChIKeyIYEQAPCZFBRBSZ-UHFFFAOYSA-N
XLogP3.70
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-amino-3,5-dichloro-6-(4-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-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419853
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 90440285
[4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate
CID 67417790
[4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate
CID 67420250
2,6-bis(4-methoxyphenyl)-4-methylpyridin-3-amine
CID 66615323
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853982
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid
CID 90440272
ethyl 2-(4-chlorophenoxy)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122369282
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696

Frequently Asked Questions

What is the IUPAC name of [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate (CID 67419978) is [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate is COc1ccc(-c2nc(OC(=O)O)c(Cl)c(N)c2Cl)cc1.
What is the InChIKey of [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
The InChIKey is IYEQAPCZFBRBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4/c1-20-7-4-2-6(3-5-7)11-8(14)10(16)9(15)12(17-11)21-13(18)19/h2-5H,1H3,(H2,16,17)(H,18,19).
What are the key properties of [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate?
[4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate has a molecular weight of 329.14 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67419978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).