2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride

C14H12Cl2N2 — CID 18454770

IUPAC2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride
SMILESCc1ccc(N)c(C#Cc2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C14H11ClN2.ClH/c1-10-5-7-13(16)14(17-10)8-6-11-3-2-4-12(15)9-11;/h2-5,7,9H,16H2,1H3;1H
InChIKeyMOCFWQRZRZGPKG-UHFFFAOYSA-N
MW279.17 g/mol
LogP3.45
Rot. Bonds

About 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride

2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride (PubChem CID 18454770) has the molecular formula C14H12Cl2N2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride
PubChem CID18454770
Molecular FormulaC14H12Cl2N2
Molecular Weight279.17 g/mol
Exact Mass278.04
IUPAC Name2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride
SMILESCc1ccc(N)c(C#Cc2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C14H11ClN2.ClH/c1-10-5-7-13(16)14(17-10)8-6-11-3-2-4-12(15)9-11;/h2-5,7,9H,16H2,1H3;1H
InChIKeyMOCFWQRZRZGPKG-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Adx 10059
CID 10331863
2-[4-(3-Chlorophenyl)but-1-yn-1-yl]-6-methylpyridine
CID 11379837
3-Amino-2,6-dichloro-4-methylpyridine
CID 701012
2-Chloro-4,6-dimethylpyridin-3-amine
CID 10511120
(2-(3-Fluoro-phenylethynyl)-6-methyl-pyridin-3-yl)amine
CID 9837457
3-(6-Methyl-pyridin-2-ylethynyl)-phenylamine
CID 18763151
2-(2-(3-Chlorophenyl)ethynyl)-6-methylpyridine
CID 18763270
ADX 10059 hydrochloride
CID 18454771
2-(2-(2-Chlorophenyl)ethynyl)-6-methylpyridine
CID 44438629
2-(2-(4-Chlorophenyl)ethynyl)-6-methylpyridine
CID 44438630
3-(2-(6-Methylpyridin-2-yl)ethynyl)-5-chlorobenzonitrile
CID 54582379
N-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137654134

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride?
The IUPAC name of 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride (CID 18454770) is 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride is Cc1ccc(N)c(C#Cc2cccc(Cl)c2)n1.Cl.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride?
The InChIKey is MOCFWQRZRZGPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2.ClH/c1-10-5-7-13(16)14(17-10)8-6-11-3-2-4-12(15)9-11;/h2-5,7,9H,16H2,1H3;1H.
What are the key properties of 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride?
2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride is sourced from PubChem (CID 18454770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).