3,4-dichloro-5-propan-2-ylpyridin-2-amine

C8H10Cl2N2 — CID 146482744

IUPAC3,4-dichloro-5-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cnc(N)c(Cl)c1Cl
InChIInChI=1S/C8H10Cl2N2/c1-4(2)5-3-12-8(11)7(10)6(5)9/h3-4H,1-2H3,(H2,11,12)
InChIKeyBVPYIGRAPOLAKW-UHFFFAOYSA-N
MW205.09 g/mol
LogP3.09
Rot. Bonds1

About 3,4-dichloro-5-propan-2-ylpyridin-2-amine

3,4-dichloro-5-propan-2-ylpyridin-2-amine (PubChem CID 146482744) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 3,4-dichloro-5-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3,4-dichloro-5-propan-2-ylpyridin-2-amine
PubChem CID146482744
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name3,4-dichloro-5-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cnc(N)c(Cl)c1Cl
InChIInChI=1S/C8H10Cl2N2/c1-4(2)5-3-12-8(11)7(10)6(5)9/h3-4H,1-2H3,(H2,11,12)
InChIKeyBVPYIGRAPOLAKW-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-propan-2-ylpyridin-2-amine?
The IUPAC name of 3,4-dichloro-5-propan-2-ylpyridin-2-amine (CID 146482744) is 3,4-dichloro-5-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3,4-dichloro-5-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3,4-dichloro-5-propan-2-ylpyridin-2-amine is CC(C)c1cnc(N)c(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-propan-2-ylpyridin-2-amine?
The InChIKey is BVPYIGRAPOLAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-4(2)5-3-12-8(11)7(10)6(5)9/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 3,4-dichloro-5-propan-2-ylpyridin-2-amine?
3,4-dichloro-5-propan-2-ylpyridin-2-amine has a molecular weight of 205.09 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 146482744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).