3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine

C11H11Cl3N4 — CID 114156826

IUPAC3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
SMILESClc1cc(Cl)c(NCCCc2ncc[nH]2)nc1Cl
InChIInChI=1S/C11H11Cl3N4/c12-7-6-8(13)11(18-10(7)14)17-3-1-2-9-15-4-5-16-9/h4-6H,1-3H2,(H,15,16)(H,17,18)
InChIKeyJWWXNGCDJLNSQP-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.81
Rot. Bonds5

About 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine

3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine (PubChem CID 114156826) has the molecular formula C11H11Cl3N4 and a molecular weight of 305.60 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
PubChem CID114156826
Molecular FormulaC11H11Cl3N4
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
SMILESClc1cc(Cl)c(NCCCc2ncc[nH]2)nc1Cl
InChIInChI=1S/C11H11Cl3N4/c12-7-6-8(13)11(18-10(7)14)17-3-1-2-9-15-4-5-16-9/h4-6H,1-3H2,(H,15,16)(H,17,18)
InChIKeyJWWXNGCDJLNSQP-UHFFFAOYSA-N
XLogP3.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-[3-(1H-imidazol-2-yl)propylamino]-2-methylpyrimidine-5-carbaldehyde
CID 114156824
2-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196384
3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195168
3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 106196800
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106196425
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine
CID 103078919
3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 102750907
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106196401

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine (CID 114156826) is 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine is Clc1cc(Cl)c(NCCCc2ncc[nH]2)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine?
The InChIKey is JWWXNGCDJLNSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N4/c12-7-6-8(13)11(18-10(7)14)17-3-1-2-9-15-4-5-16-9/h4-6H,1-3H2,(H,15,16)(H,17,18).
What are the key properties of 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine?
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine has a molecular weight of 305.60 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 114156826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).