3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine

C12H11Cl2N3 — CID 43395999

IUPAC3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C12H11Cl2N3/c1-8(9-2-4-15-5-3-9)17-12-11(14)6-10(13)7-16-12/h2-8H,1H3,(H,16,17)
InChIKeyCHKVYJLURDGSBZ-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.96
Rot. Bonds3

About 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine

3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine (PubChem CID 43395999) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
PubChem CID43395999
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C12H11Cl2N3/c1-8(9-2-4-15-5-3-9)17-12-11(14)6-10(13)7-16-12/h2-8H,1H3,(H,16,17)
InChIKeyCHKVYJLURDGSBZ-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine
CID 60870788
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781987
5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780925
3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 71565459
2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
CID 79728788
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594
4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine
CID 43808288

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine (CID 43395999) is 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine is CC(Nc1ncc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine?
The InChIKey is CHKVYJLURDGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-8(9-2-4-15-5-3-9)17-12-11(14)6-10(13)7-16-12/h2-8H,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine?
3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine has a molecular weight of 268.15 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 43395999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).