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

C12H9Cl2N3O3 — CID 67974691

IUPAC[4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate
SMILESNc1cc(Cl)ccc1-c1cc(N)c(Cl)c(OC(=O)O)n1
InChIInChI=1S/C12H9Cl2N3O3/c13-5-1-2-6(7(15)3-5)9-4-8(16)10(14)11(17-9)20-12(18)19/h1-4H,15H2,(H2,16,17)(H,18,19)
InChIKeyIEMHQAPUCNQKIE-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.28
Rot. Bonds2

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

[4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate (PubChem CID 67974691) has the molecular formula C12H9Cl2N3O3 and a molecular weight of 314.13 g/mol. Its IUPAC name is [4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate
PubChem CID67974691
Molecular FormulaC12H9Cl2N3O3
Molecular Weight314.13 g/mol
Exact Mass313.00
IUPAC Name[4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate
SMILESNc1cc(Cl)ccc1-c1cc(N)c(Cl)c(OC(=O)O)n1
InChIInChI=1S/C12H9Cl2N3O3/c13-5-1-2-6(7(15)3-5)9-4-8(16)10(14)11(17-9)20-12(18)19/h1-4H,15H2,(H2,16,17)(H,18,19)
InChIKeyIEMHQAPUCNQKIE-UHFFFAOYSA-N
XLogP3.28
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
[4-amino-3-chloro-6-(4-propan-2-ylphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419853
[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-methylphenyl)-2-pyridinyl] hydrogen carbonate
CID 67417790
[4-amino-3-chloro-6-(2,4-dichlorophenyl)-5-fluoro-2-pyridinyl] hydrogen carbonate
CID 67420250
4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677250
ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 22677283
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylsulfonylphenyl)-2-pyridinyl] methyl carbonate
CID 67420061
[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate
CID 68648426
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 68598483
[2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate
CID 70473325
methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 90440355

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate (CID 67974691) is [4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate is Nc1cc(Cl)ccc1-c1cc(N)c(Cl)c(OC(=O)O)n1.
What is the InChIKey of [4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate?
The InChIKey is IEMHQAPUCNQKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3/c13-5-1-2-6(7(15)3-5)9-4-8(16)10(14)11(17-9)20-12(18)19/h1-4H,15H2,(H2,16,17)(H,18,19).
What are the key properties of [4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate?
[4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate has a molecular weight of 314.13 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67974691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).