[5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine

C17H19ClN2Si — CID 69065016

IUPAC[5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine
SMILESC[Si](C)(C)C#Cc1ncc(-c2ccc(Cl)cc2)cc1CN
InChIInChI=1S/C17H19ClN2Si/c1-21(2,3)9-8-17-14(11-19)10-15(12-20-17)13-4-6-16(18)7-5-13/h4-7,10,12H,11,19H2,1-3H3
InChIKeyQIXQFRCCLCLUSB-UHFFFAOYSA-N
MW314.89 g/mol
LogP4.09
Rot. Bonds2

About [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine

[5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine (PubChem CID 69065016) has the molecular formula C17H19ClN2Si and a molecular weight of 314.89 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine
PubChem CID69065016
Molecular FormulaC17H19ClN2Si
Molecular Weight314.89 g/mol
Exact Mass314.10
IUPAC Name[5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine
SMILESC[Si](C)(C)C#Cc1ncc(-c2ccc(Cl)cc2)cc1CN
InChIInChI=1S/C17H19ClN2Si/c1-21(2,3)9-8-17-14(11-19)10-15(12-20-17)13-4-6-16(18)7-5-13/h4-7,10,12H,11,19H2,1-3H3
InChIKeyQIXQFRCCLCLUSB-UHFFFAOYSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.89
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-3-ethylpyridin-2-amine
CID 142402687
3-chloro-5-(4-chlorophenyl)-2-ethynylpyridine
CID 86077065
3-(aminomethyl)-5-chloropyridine-2-carbonitrile
CID 122605010
5-(4-chlorophenyl)-2-[2-(4-ethoxyphenyl)ethynyl]-3-fluoropyridine
CID 91807418
[5-(4-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224816
[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methanamine
CID 66159518
2-[4-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethanol
CID 69059827
5-(4-chlorophenyl)-2-methoxypyridin-3-amine
CID 105495486
5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 13079832
[4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine
CID 134228110
2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane
CID 132535846
[6-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-4-methylquinolin-2-yl]methanamine
CID 69064008

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine (CID 69065016) is [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine is C[Si](C)(C)C#Cc1ncc(-c2ccc(Cl)cc2)cc1CN.
What is the InChIKey of [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine?
The InChIKey is QIXQFRCCLCLUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2Si/c1-21(2,3)9-8-17-14(11-19)10-15(12-20-17)13-4-6-16(18)7-5-13/h4-7,10,12H,11,19H2,1-3H3.
What are the key properties of [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine?
[5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine has a molecular weight of 314.89 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-(2-trimethylsilylethynyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 69065016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).