3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine

C11H12Cl2N4 — CID 102753146

IUPAC3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCCNc1nc(-c2cnn(C)c2)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4/c1-3-14-11-9(13)4-8(12)10(16-11)7-5-15-17(2)6-7/h4-6H,3H2,1-2H3,(H,14,16)
InChIKeyIXHCRGHGBHQXFC-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.22
Rot. Bonds3

About 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine

3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 102753146) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
PubChem CID102753146
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCCNc1nc(-c2cnn(C)c2)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4/c1-3-14-11-9(13)4-8(12)10(16-11)7-5-15-17(2)6-7/h4-6H,3H2,1-2H3,(H,14,16)
InChIKeyIXHCRGHGBHQXFC-UHFFFAOYSA-N
XLogP3.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 102753146) is 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine is CCNc1nc(-c2cnn(C)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is IXHCRGHGBHQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-3-14-11-9(13)4-8(12)10(16-11)7-5-15-17(2)6-7/h4-6H,3H2,1-2H3,(H,14,16).
What are the key properties of 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine?
3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 271.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 102753146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).