N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine

C10H11ClN2 — CID 130612866

IUPACN-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1cccc(Cl)n1
InChIInChI=1S/C10H11ClN2/c1-3-7-13(2)8-9-5-4-6-10(11)12-9/h1,4-6H,7-8H2,2H3
InChIKeyQKTFWZCSPSIELG-UHFFFAOYSA-N
MW194.67 g/mol
LogP1.80
Rot. Bonds3

About N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine

N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine (PubChem CID 130612866) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine
PubChem CID130612866
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC NameN-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1cccc(Cl)n1
InChIInChI=1S/C10H11ClN2/c1-3-7-13(2)8-9-5-4-6-10(11)12-9/h1,4-6H,7-8H2,2H3
InChIKeyQKTFWZCSPSIELG-UHFFFAOYSA-N
XLogP1.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.67
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine (CID 130612866) is N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1cccc(Cl)n1.
What is the InChIKey of N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine?
The InChIKey is QKTFWZCSPSIELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-3-7-13(2)8-9-5-4-6-10(11)12-9/h1,4-6H,7-8H2,2H3.
What are the key properties of N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine?
N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 194.67 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-pyridinyl)methyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 130612866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).