5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine

C13H15ClN4 — CID 79021909

IUPAC5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
SMILESCN(C)c1ccc(Nc2ncc(Cl)cc2N)cc1
InChIInChI=1S/C13H15ClN4/c1-18(2)11-5-3-10(4-6-11)17-13-12(15)7-9(14)8-16-13/h3-8H,15H2,1-2H3,(H,16,17)
InChIKeyHAUJXQHPBNFQSQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.13
Rot. Bonds3

About 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine

5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine (PubChem CID 79021909) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
PubChem CID79021909
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
SMILESCN(C)c1ccc(Nc2ncc(Cl)cc2N)cc1
InChIInChI=1S/C13H15ClN4/c1-18(2)11-5-3-10(4-6-11)17-13-12(15)7-9(14)8-16-13/h3-8H,15H2,1-2H3,(H,16,17)
InChIKeyHAUJXQHPBNFQSQ-UHFFFAOYSA-N
XLogP3.13
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-N-[4-(2-methylpropoxy)phenyl]pyridine-2,3-diamine
CID 82059569
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine
CID 102756297
2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine
CID 61147087
1-[3-[(3-amino-5-chloro-2-pyridinyl)amino]phenyl]ethanone
CID 82059562
2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
CID 114001533
3-(1-aminoisoquinolin-6-yl)-1-[5-chloro-2-[4-(dimethylamino)anilino]-3-pyridinyl]propan-1-one
CID 167604088
5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82815662
2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 144618695
5-chloro-2-N-(4-chlorophenyl)-2-N-methylpyridine-2,3-diamine
CID 67905407
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66278412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine (CID 79021909) is 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine is CN(C)c1ccc(Nc2ncc(Cl)cc2N)cc1.
What is the InChIKey of 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine?
The InChIKey is HAUJXQHPBNFQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-18(2)11-5-3-10(4-6-11)17-13-12(15)7-9(14)8-16-13/h3-8H,15H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine?
5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 79021909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).