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

C15H15ClN2O3 — CID 67419853

IUPAC[4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCC(C)c1ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-8(2)9-3-5-10(6-4-9)12-7-11(17)13(16)14(18-12)21-15(19)20/h3-8H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyNILGZZOOXNDSJF-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.16
Rot. Bonds3

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

[4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate (PubChem CID 67419853) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is [4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate
PubChem CID67419853
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name[4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate
SMILESCC(C)c1ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-8(2)9-3-5-10(6-4-9)12-7-11(17)13(16)14(18-12)21-15(19)20/h3-8H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyNILGZZOOXNDSJF-UHFFFAOYSA-N
XLogP4.16
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-amino-3-chloro-6-(4-propan-2-ylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate (CID 67419853) is [4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate is CC(C)c1ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)cc1.
What is the InChIKey of [4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate?
The InChIKey is NILGZZOOXNDSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-8(2)9-3-5-10(6-4-9)12-7-11(17)13(16)14(18-12)21-15(19)20/h3-8H,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of [4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate?
[4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate has a molecular weight of 306.75 g/mol, XLogP of 4.16, 3 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-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67419853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).