1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol

C9H13Cl2N3O — CID 102757866

IUPAC1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O/c1-5(15)4-14(2)9-7(11)3-6(10)8(12)13-9/h3,5,15H,4H2,1-2H3,(H2,12,13)
InChIKeyDMJDOUHEUHTTIV-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.79
Rot. Bonds3

About 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol

1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol (PubChem CID 102757866) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol
PubChem CID102757866
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O/c1-5(15)4-14(2)9-7(11)3-6(10)8(12)13-9/h3,5,15H,4H2,1-2H3,(H2,12,13)
InChIKeyDMJDOUHEUHTTIV-UHFFFAOYSA-N
XLogP1.79
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]butan-2-ol
CID 102759983
3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine
CID 102759999
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-6-N-methylpyridine-2,6-diamine
CID 102758333
3,5-dichloro-6-N-(2,2-dimethylpropyl)-6-N-methylpyridine-2,6-diamine
CID 102757620
3,5-dichloro-6-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 102755851
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
3,5-dichloro-6-N-methyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756512
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
3,5-dichloro-6-hydrazinyl-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 102761612
3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
CID 102757440
3,5-dichloro-6-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyridine-2,6-diamine
CID 102758072
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol (CID 102757866) is 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol is CC(O)CN(C)c1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol?
The InChIKey is DMJDOUHEUHTTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c1-5(15)4-14(2)9-7(11)3-6(10)8(12)13-9/h3,5,15H,4H2,1-2H3,(H2,12,13).
What are the key properties of 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol?
1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol has a molecular weight of 250.13 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol is sourced from PubChem (CID 102757866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).