3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine

C9H13ClN2 — CID 166870496

IUPAC3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine
SMILESCNc1c(Cl)cncc1C(C)C
InChIInChI=1S/C9H13ClN2/c1-6(2)7-4-12-5-8(10)9(7)11-3/h4-6H,1-3H3,(H,11,12)
InChIKeyXZCBXSDJFWDNSP-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.90
Rot. Bonds2

About 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine

3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine (PubChem CID 166870496) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine
PubChem CID166870496
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine
SMILESCNc1c(Cl)cncc1C(C)C
InChIInChI=1S/C9H13ClN2/c1-6(2)7-4-12-5-8(10)9(7)11-3/h4-6H,1-3H3,(H,11,12)
InChIKeyXZCBXSDJFWDNSP-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine?
The IUPAC name of 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine (CID 166870496) is 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine is CNc1c(Cl)cncc1C(C)C.
What is the InChIKey of 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine?
The InChIKey is XZCBXSDJFWDNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(2)7-4-12-5-8(10)9(7)11-3/h4-6H,1-3H3,(H,11,12).
What are the key properties of 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine?
3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine has a molecular weight of 184.67 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 166870496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).