4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine

C16H12Cl2N4 — CID 4978947

IUPAC4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine
SMILESClc1cc(Cl)c(Nc2ccccn2)cc1Nc1ccccn1
InChIInChI=1S/C16H12Cl2N4/c17-11-9-12(18)14(22-16-6-2-4-8-20-16)10-13(11)21-15-5-1-3-7-19-15/h1-10H,(H,19,21)(H,20,22)
InChIKeyCDVGDABVMFSHGC-UHFFFAOYSA-N
MW331.21 g/mol
LogP5.27
Rot. Bonds4

About 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine

4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine (PubChem CID 4978947) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine
PubChem CID4978947
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine
SMILESClc1cc(Cl)c(Nc2ccccn2)cc1Nc1ccccn1
InChIInChI=1S/C16H12Cl2N4/c17-11-9-12(18)14(22-16-6-2-4-8-20-16)10-13(11)21-15-5-1-3-7-19-15/h1-10H,(H,19,21)(H,20,22)
InChIKeyCDVGDABVMFSHGC-UHFFFAOYSA-N
XLogP5.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.21
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-N-pyridin-2-ylbenzene-1,3-diamine
CID 61013980
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
N-(4-chlorophenyl)pyridin-2-amine
CID 139075249
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
N-(2,4-difluorophenyl)pyridin-2-amine
CID 14914349
2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine
CID 118311727
5,6-bis(pyridin-2-ylamino)isoindole-1,3-dione
CID 22918438
N-chloropyridin-2-amine
CID 22481248
N-pyridin-2-ylquinolin-8-amine
CID 82537542
N-(5-chlorothiophen-2-yl)pyridin-2-amine
CID 130007801
N-(2-nitrosophenyl)pyridin-2-amine
CID 22903582

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine?
The IUPAC name of 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine (CID 4978947) is 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine is Clc1cc(Cl)c(Nc2ccccn2)cc1Nc1ccccn1.
What is the InChIKey of 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine?
The InChIKey is CDVGDABVMFSHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c17-11-9-12(18)14(22-16-6-2-4-8-20-16)10-13(11)21-15-5-1-3-7-19-15/h1-10H,(H,19,21)(H,20,22).
What are the key properties of 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine?
4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine has a molecular weight of 331.21 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 4978947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).