3-chloro-2-propan-2-ylpyridin-4-amine

C8H11ClN2 — CID 54425054

IUPAC3-chloro-2-propan-2-ylpyridin-4-amine
SMILESCC(C)c1nccc(N)c1Cl
InChIInChI=1S/C8H11ClN2/c1-5(2)8-7(9)6(10)3-4-11-8/h3-5H,1-2H3,(H2,10,11)
InChIKeyWDMWOAIXRDNACW-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.44
Rot. Bonds1

About 3-chloro-2-propan-2-ylpyridin-4-amine

3-chloro-2-propan-2-ylpyridin-4-amine (PubChem CID 54425054) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 3-chloro-2-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-2-propan-2-ylpyridin-4-amine
PubChem CID54425054
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name3-chloro-2-propan-2-ylpyridin-4-amine
SMILESCC(C)c1nccc(N)c1Cl
InChIInChI=1S/C8H11ClN2/c1-5(2)8-7(9)6(10)3-4-11-8/h3-5H,1-2H3,(H2,10,11)
InChIKeyWDMWOAIXRDNACW-UHFFFAOYSA-N
XLogP2.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-ylpyridin-4-amine?
The IUPAC name of 3-chloro-2-propan-2-ylpyridin-4-amine (CID 54425054) is 3-chloro-2-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 3-chloro-2-propan-2-ylpyridin-4-amine?
The canonical SMILES for 3-chloro-2-propan-2-ylpyridin-4-amine is CC(C)c1nccc(N)c1Cl.
What is the InChIKey of 3-chloro-2-propan-2-ylpyridin-4-amine?
The InChIKey is WDMWOAIXRDNACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-5(2)8-7(9)6(10)3-4-11-8/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 3-chloro-2-propan-2-ylpyridin-4-amine?
3-chloro-2-propan-2-ylpyridin-4-amine has a molecular weight of 170.64 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 54425054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).