6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine

C9H9ClN4 — CID 79778392

IUPAC6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine
SMILESCn1ccc(Nc2cccc(Cl)n2)n1
InChIInChI=1S/C9H9ClN4/c1-14-6-5-9(13-14)12-8-4-2-3-7(10)11-8/h2-6H,1H3,(H,11,12,13)
InChIKeyOIHJDFZYTVUZJU-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.21
Rot. Bonds2

About 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine

6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 79778392) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine
PubChem CID79778392
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine
SMILESCn1ccc(Nc2cccc(Cl)n2)n1
InChIInChI=1S/C9H9ClN4/c1-14-6-5-9(13-14)12-8-4-2-3-7(10)11-8/h2-6H,1H3,(H,11,12,13)
InChIKeyOIHJDFZYTVUZJU-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 79778691
4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 146569746
5-chloro-N-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 131101341
N-(1-methylpyrazol-3-yl)pyridazin-3-amine
CID 79778792
6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 112723681
6-chloro-N-(4,5-dichloro-2-methylphenyl)pyridin-2-amine;ethane
CID 144720384
6-chloro-N-fluoropyridin-2-amine
CID 171556919
N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
CID 79778291
6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 80849615
2-chloro-1-N-(1-methylpyrazol-3-yl)benzene-1,4-diamine
CID 79770740
6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80977609

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine (CID 79778392) is 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine is Cn1ccc(Nc2cccc(Cl)n2)n1.
What is the InChIKey of 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is OIHJDFZYTVUZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-14-6-5-9(13-14)12-8-4-2-3-7(10)11-8/h2-6H,1H3,(H,11,12,13).
What are the key properties of 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine?
6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 208.65 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 79778392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).