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

C13H10Cl2N2O3 — CID 67417790

IUPAC[4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCc1cc(-c2cc(N)c(Cl)c(OC(=O)O)n2)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c1-6-4-7(2-3-8(6)14)10-5-9(16)11(15)12(17-10)20-13(18)19/h2-5H,1H3,(H2,16,17)(H,18,19)
InChIKeyRDOCEIPUXFHCMC-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.00
Rot. Bonds2

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

[4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate (PubChem CID 67417790) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is [4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate
PubChem CID67417790
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name[4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCc1cc(-c2cc(N)c(Cl)c(OC(=O)O)n2)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c1-6-4-7(2-3-8(6)14)10-5-9(16)11(15)12(17-10)20-13(18)19/h2-5H,1H3,(H2,16,17)(H,18,19)
InChIKeyRDOCEIPUXFHCMC-UHFFFAOYSA-N
XLogP4.00
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate (CID 67417790) is [4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate is Cc1cc(-c2cc(N)c(Cl)c(OC(=O)O)n2)ccc1Cl.
What is the InChIKey of [4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate?
The InChIKey is RDOCEIPUXFHCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-6-4-7(2-3-8(6)14)10-5-9(16)11(15)12(17-10)20-13(18)19/h2-5H,1H3,(H2,16,17)(H,18,19).
What are the key properties of [4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate?
[4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate has a molecular weight of 313.14 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-chloro-6-(4-chloro-3-methylphenyl)-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67417790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).