3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine

C11H11Cl3N4 — CID 102750907

IUPAC3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCn1ccnc1CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N4/c1-18-5-4-15-9(18)2-3-16-11-8(13)6-7(12)10(14)17-11/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyOGCNDPPHWQIXOS-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.43
Rot. Bonds4

About 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine

3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 102750907) has the molecular formula C11H11Cl3N4 and a molecular weight of 305.60 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
PubChem CID102750907
Molecular FormulaC11H11Cl3N4
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCn1ccnc1CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N4/c1-18-5-4-15-9(18)2-3-16-11-8(13)6-7(12)10(14)17-11/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyOGCNDPPHWQIXOS-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine
CID 114046189
5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816975
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527755
4-chloro-2-methyl-6-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 80733189
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
1-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078356
5-fluoro-6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 103644661
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine (CID 102750907) is 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine is Cn1ccnc1CCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is OGCNDPPHWQIXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N4/c1-18-5-4-15-9(18)2-3-16-11-8(13)6-7(12)10(14)17-11/h4-6H,2-3H2,1H3,(H,16,17).
What are the key properties of 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 305.60 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 102750907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).