3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine

C9H9ClN4 — CID 168665646

IUPAC3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cnc(N)c(Cl)c2)cn1
InChIInChI=1S/C9H9ClN4/c1-14-5-7(4-13-14)6-2-8(10)9(11)12-3-6/h2-5H,1H3,(H2,11,12)
InChIKeyMASPAZDIPYRYNW-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.72
Rot. Bonds1

About 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine

3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 168665646) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
PubChem CID168665646
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cnc(N)c(Cl)c2)cn1
InChIInChI=1S/C9H9ClN4/c1-14-5-7(4-13-14)6-2-8(10)9(11)12-3-6/h2-5H,1H3,(H2,11,12)
InChIKeyMASPAZDIPYRYNW-UHFFFAOYSA-N
XLogP1.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 168665646) is 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine is Cn1cc(-c2cnc(N)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is MASPAZDIPYRYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-14-5-7(4-13-14)6-2-8(10)9(11)12-3-6/h2-5H,1H3,(H2,11,12).
What are the key properties of 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine?
3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 208.65 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 168665646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).