N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine

C10H11ClN2 — CID 130652124

IUPACN-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine
SMILESC#CC(C)N(C)c1ncccc1Cl
InChIInChI=1S/C10H11ClN2/c1-4-8(2)13(3)10-9(11)6-5-7-12-10/h1,5-8H,2-3H3
InChIKeyREDPDRINDCVFLL-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.19
Rot. Bonds2

About N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine

N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine (PubChem CID 130652124) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine
PubChem CID130652124
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC NameN-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine
SMILESC#CC(C)N(C)c1ncccc1Cl
InChIInChI=1S/C10H11ClN2/c1-4-8(2)13(3)10-9(11)6-5-7-12-10/h1,5-8H,2-3H3
InChIKeyREDPDRINDCVFLL-UHFFFAOYSA-N
XLogP2.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine?
The IUPAC name of N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine (CID 130652124) is N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine?
The canonical SMILES for N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine is C#CC(C)N(C)c1ncccc1Cl.
What is the InChIKey of N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine?
The InChIKey is REDPDRINDCVFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-4-8(2)13(3)10-9(11)6-5-7-12-10/h1,5-8H,2-3H3.
What are the key properties of N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine?
N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine has a molecular weight of 194.66 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 130652124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).