5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride

C16H15Cl3N4 — CID 118701007

IUPAC5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C16H13ClN4.2ClH/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11;;/h1-9H,(H2,18,20)(H2,19,21);2*1H
InChIKeyVRQXEOPUAQLBQI-UHFFFAOYSA-N
MW369.68 g/mol
LogP4.47
Rot. Bonds2

About 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride

5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride (PubChem CID 118701007) has the molecular formula C16H15Cl3N4 and a molecular weight of 369.68 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride
PubChem CID118701007
Molecular FormulaC16H15Cl3N4
Molecular Weight369.68 g/mol
Exact Mass368.04
IUPAC Name5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C16H13ClN4.2ClH/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11;;/h1-9H,(H2,18,20)(H2,19,21);2*1H
InChIKeyVRQXEOPUAQLBQI-UHFFFAOYSA-N
XLogP4.47
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride?
The IUPAC name of 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride (CID 118701007) is 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride is Cl.Cl.Nc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride?
The InChIKey is VRQXEOPUAQLBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4.2ClH/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11;;/h1-9H,(H2,18,20)(H2,19,21);2*1H.
What are the key properties of 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride?
5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride has a molecular weight of 369.68 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 118701007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).