3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine

C15H16Cl2N2O2 — CID 102753063

IUPAC3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine
SMILESCCOc1ccc(-c2nc(N)c(Cl)cc2Cl)cc1OCC
InChIInChI=1S/C15H16Cl2N2O2/c1-3-20-12-6-5-9(7-13(12)21-4-2)14-10(16)8-11(17)15(18)19-14/h5-8H,3-4H2,1-2H3,(H2,18,19)
InChIKeyVHKMUSREDBTQRF-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.43
Rot. Bonds5

About 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine

3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine (PubChem CID 102753063) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine
PubChem CID102753063
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine
SMILESCCOc1ccc(-c2nc(N)c(Cl)cc2Cl)cc1OCC
InChIInChI=1S/C15H16Cl2N2O2/c1-3-20-12-6-5-9(7-13(12)21-4-2)14-10(16)8-11(17)15(18)19-14/h5-8H,3-4H2,1-2H3,(H2,18,19)
InChIKeyVHKMUSREDBTQRF-UHFFFAOYSA-N
XLogP4.43
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-(4-ethoxyphenyl)pyridin-2-amine
CID 102752955
2-chloro-4-(3,4-diethoxyphenyl)aniline
CID 107607652
4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 43141109
2,4-diamino-6-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]pyrimidine-5-carbonitrile
CID 169397798
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
2,5-dichloro-4-(3,4-diethoxyphenyl)phenol
CID 107663304
1-(3,4-diethoxyphenyl)-6,7-diethoxyisoquinoline;hydrochloride
CID 138397344
2,4-diamino-6-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]pyrimidine-5-carbonitrile
CID 169397752
3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
CID 115914318
5-(3,4-diethoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79412403
4-bromo-5-(3,4-diethoxyphenyl)-1,2-oxazol-3-amine
CID 79556122
3,5-dichloro-6-[3-(2-methylpropyl)phenyl]pyridin-2-amine
CID 102753955

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine (CID 102753063) is 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine is CCOc1ccc(-c2nc(N)c(Cl)cc2Cl)cc1OCC.
What is the InChIKey of 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine?
The InChIKey is VHKMUSREDBTQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-3-20-12-6-5-9(7-13(12)21-4-2)14-10(16)8-11(17)15(18)19-14/h5-8H,3-4H2,1-2H3,(H2,18,19).
What are the key properties of 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine?
3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine has a molecular weight of 327.21 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 102753063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).