[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

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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).