2-chloroaniline;N,5-dimethylpyridin-2-amine

C13H16ClN3 — CID 142808414

IUPAC2-chloroaniline;N,5-dimethylpyridin-2-amine
SMILESCNc1ccc(C)cn1.Nc1ccccc1Cl
InChIInChI=1S/C7H10N2.C6H6ClN/c1-6-3-4-7(8-2)9-5-6;7-5-3-1-2-4-6(5)8/h3-5H,1-2H3,(H,8,9);1-4H,8H2
InChIKeyVXTFGGFLLYMDLH-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.35
Rot. Bonds1

About 2-chloroaniline;N,5-dimethylpyridin-2-amine

2-chloroaniline;N,5-dimethylpyridin-2-amine (PubChem CID 142808414) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 2-chloroaniline;N,5-dimethylpyridin-2-amine.

Molecular Properties

Compound Name2-chloroaniline;N,5-dimethylpyridin-2-amine
PubChem CID142808414
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name2-chloroaniline;N,5-dimethylpyridin-2-amine
SMILESCNc1ccc(C)cn1.Nc1ccccc1Cl
InChIInChI=1S/C7H10N2.C6H6ClN/c1-6-3-4-7(8-2)9-5-6;7-5-3-1-2-4-6(5)8/h3-5H,1-2H3,(H,8,9);1-4H,8H2
InChIKeyVXTFGGFLLYMDLH-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
N'-(5-methyl-2-pyridinyl)methanediamine
CID 137383083
1-(2-chlorophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 75538969
2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 43452486
lithium;2-chloroaniline;hydride
CID 175102448
5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine
CID 55044923
5-methyl-N-phenylpyridin-2-amine
CID 12888062
N-benzhydryl-5-methylpyridin-2-amine
CID 43344292
1-N,4-N-bis(5-methyl-2-pyridinyl)phthalazine-1,4-diamine
CID 6413750
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
N-chloroaniline;2-chloroaniline
CID 158101021
2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide
CID 118317099

Frequently Asked Questions

What is the IUPAC name of 2-chloroaniline;N,5-dimethylpyridin-2-amine?
The IUPAC name of 2-chloroaniline;N,5-dimethylpyridin-2-amine (CID 142808414) is 2-chloroaniline;N,5-dimethylpyridin-2-amine.
What is the SMILES notation for 2-chloroaniline;N,5-dimethylpyridin-2-amine?
The canonical SMILES for 2-chloroaniline;N,5-dimethylpyridin-2-amine is CNc1ccc(C)cn1.Nc1ccccc1Cl.
What is the InChIKey of 2-chloroaniline;N,5-dimethylpyridin-2-amine?
The InChIKey is VXTFGGFLLYMDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C6H6ClN/c1-6-3-4-7(8-2)9-5-6;7-5-3-1-2-4-6(5)8/h3-5H,1-2H3,(H,8,9);1-4H,8H2.
What are the key properties of 2-chloroaniline;N,5-dimethylpyridin-2-amine?
2-chloroaniline;N,5-dimethylpyridin-2-amine has a molecular weight of 249.75 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroaniline;N,5-dimethylpyridin-2-amine is sourced from PubChem (CID 142808414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).