N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine

C13H13Cl2N3 — CID 79780969

IUPACN-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-2-17-12(9-4-3-5-16-7-9)13-11(15)6-10(14)8-18-13/h3-8,12,17H,2H2,1H3
InChIKeyCYXWRDPPFTYJGU-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.48
Rot. Bonds4

About N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine

N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 79780969) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID79780969
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-2-17-12(9-4-3-5-16-7-9)13-11(15)6-10(14)8-18-13/h3-8,12,17H,2H2,1H3
InChIKeyCYXWRDPPFTYJGU-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(3-chloro-4-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 63087157
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107513634
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82793264
N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79780571

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine (CID 79780969) is N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is CYXWRDPPFTYJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-2-17-12(9-4-3-5-16-7-9)13-11(15)6-10(14)8-18-13/h3-8,12,17H,2H2,1H3.
What are the key properties of N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine?
N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 282.17 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 79780969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).