3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine

C11H11Cl3N2 — CID 106195652

IUPAC3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine
SMILESC#CCC(CC)Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N2/c1-3-5-7(4-2)15-11-9(13)6-8(12)10(14)16-11/h1,6-7H,4-5H2,2H3,(H,15,16)
InChIKeyNUDWTHHFUVWXRF-UHFFFAOYSA-N
MW277.58 g/mol
LogP4.26
Rot. Bonds4

About 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine

3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine (PubChem CID 106195652) has the molecular formula C11H11Cl3N2 and a molecular weight of 277.58 g/mol. Its IUPAC name is 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine
PubChem CID106195652
Molecular FormulaC11H11Cl3N2
Molecular Weight277.58 g/mol
Exact Mass276.00
IUPAC Name3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine
SMILESC#CCC(CC)Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N2/c1-3-5-7(4-2)15-11-9(13)6-8(12)10(14)16-11/h1,6-7H,4-5H2,2H3,(H,15,16)
InChIKeyNUDWTHHFUVWXRF-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.58
LogP ≤ 54.26
H-Bond Donors ≤ 51
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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Related Compounds

3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625
6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine
CID 103703612
6-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 106195659
3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
CID 102751998
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3-chloro-2-(hex-5-yn-3-ylamino)pyridine-4-carbonitrile
CID 107058411
3,5,6-trichloro-N-(1-cyclopropylpropan-2-yl)pyridin-2-amine
CID 102751177
3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750617
2,6-dichloro-N-hex-5-yn-3-yl-4-nitroaniline
CID 106891685
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
5-chloro-N-hex-5-yn-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106195677
3,5,6-trichloro-N-(1-cyclopropylethyl)pyridin-2-amine
CID 102750364

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine (CID 106195652) is 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine is C#CCC(CC)Nc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine?
The InChIKey is NUDWTHHFUVWXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N2/c1-3-5-7(4-2)15-11-9(13)6-8(12)10(14)16-11/h1,6-7H,4-5H2,2H3,(H,15,16).
What are the key properties of 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine?
3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine has a molecular weight of 277.58 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine is sourced from PubChem (CID 106195652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).