N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine

C9H13Cl2N3O — CID 63766858

IUPACN-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
SMILESNCCOCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O/c10-7-5-8(11)9(14-6-7)13-2-4-15-3-1-12/h5-6H,1-4,12H2,(H,13,14)
InChIKeyKQNJVMSMRJTZOK-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.78
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine

N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine (PubChem CID 63766858) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
PubChem CID63766858
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
SMILESNCCOCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O/c10-7-5-8(11)9(14-6-7)13-2-4-15-3-1-12/h5-6H,1-4,12H2,(H,13,14)
InChIKeyKQNJVMSMRJTZOK-UHFFFAOYSA-N
XLogP1.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 60730538
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79717746
6-[(3,5-dichloro-2-pyridinyl)amino]hexan-1-ol
CID 107849091
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
3-bromo-N-(2-but-3-enoxyethyl)-5-chloropyridin-2-amine
CID 107143640

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine (CID 63766858) is N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine is NCCOCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine?
The InChIKey is KQNJVMSMRJTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c10-7-5-8(11)9(14-6-7)13-2-4-15-3-1-12/h5-6H,1-4,12H2,(H,13,14).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine?
N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine has a molecular weight of 250.13 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine is sourced from PubChem (CID 63766858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).