3-chloro-N-(6-chlorohexyl)pyridin-4-amine

C11H16Cl2N2 — CID 107846107

IUPAC3-chloro-N-(6-chlorohexyl)pyridin-4-amine
SMILESClCCCCCCNc1ccncc1Cl
InChIInChI=1S/C11H16Cl2N2/c12-6-3-1-2-4-7-15-11-5-8-14-9-10(11)13/h5,8-9H,1-4,6-7H2,(H,14,15)
InChIKeyFWEVOKRIONEKPQ-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.95
Rot. Bonds7

About 3-chloro-N-(6-chlorohexyl)pyridin-4-amine

3-chloro-N-(6-chlorohexyl)pyridin-4-amine (PubChem CID 107846107) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 3-chloro-N-(6-chlorohexyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(6-chlorohexyl)pyridin-4-amine
PubChem CID107846107
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name3-chloro-N-(6-chlorohexyl)pyridin-4-amine
SMILESClCCCCCCNc1ccncc1Cl
InChIInChI=1S/C11H16Cl2N2/c12-6-3-1-2-4-7-15-11-5-8-14-9-10(11)13/h5,8-9H,1-4,6-7H2,(H,14,15)
InChIKeyFWEVOKRIONEKPQ-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-3-methylpyridin-4-amine
CID 107320518
3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
CID 106306323
3-chloro-N-hex-5-ynylpyridin-4-amine
CID 103757339
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine
CID 107319957
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
N'-(3-chloro-4-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155235
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
N-(4-chlorobutyl)pyridin-4-amine
CID 106845129

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-chlorohexyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(6-chlorohexyl)pyridin-4-amine (CID 107846107) is 3-chloro-N-(6-chlorohexyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(6-chlorohexyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(6-chlorohexyl)pyridin-4-amine is ClCCCCCCNc1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(6-chlorohexyl)pyridin-4-amine?
The InChIKey is FWEVOKRIONEKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c12-6-3-1-2-4-7-15-11-5-8-14-9-10(11)13/h5,8-9H,1-4,6-7H2,(H,14,15).
What are the key properties of 3-chloro-N-(6-chlorohexyl)pyridin-4-amine?
3-chloro-N-(6-chlorohexyl)pyridin-4-amine has a molecular weight of 247.17 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-chlorohexyl)pyridin-4-amine is sourced from PubChem (CID 107846107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).