[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol

C15H16Cl2N2O — CID 62978853

IUPAC[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
SMILESCC(c1ccc(Cl)cc1)N(C)c1ncc(CO)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-10(12-3-5-13(16)6-4-12)19(2)15-14(17)7-11(9-20)8-18-15/h3-8,10,20H,9H2,1-2H3
InChIKeyOGBHCNHALKNGKW-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.08
Rot. Bonds4

About [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol

[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol (PubChem CID 62978853) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
PubChem CID62978853
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
SMILESCC(c1ccc(Cl)cc1)N(C)c1ncc(CO)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-10(12-3-5-13(16)6-4-12)19(2)15-14(17)7-11(9-20)8-18-15/h3-8,10,20H,9H2,1-2H3
InChIKeyOGBHCNHALKNGKW-UHFFFAOYSA-N
XLogP4.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
CID 61257693
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 81446929
3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297463
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline
CID 63565693
3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102758070
5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 107083060
5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 63537031
[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
CID 61254991
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62985251
[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238589

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol (CID 62978853) is [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol is CC(c1ccc(Cl)cc1)N(C)c1ncc(CO)cc1Cl.
What is the InChIKey of [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol?
The InChIKey is OGBHCNHALKNGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-10(12-3-5-13(16)6-4-12)19(2)15-14(17)7-11(9-20)8-18-15/h3-8,10,20H,9H2,1-2H3.
What are the key properties of [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol?
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol has a molecular weight of 311.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol is sourced from PubChem (CID 62978853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).