2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

C11H10ClN5 — CID 11983545

IUPAC2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(Cl)n2)n[nH]1
InChIInChI=1S/C11H10ClN5/c1-6-3-9(15-11(12)8(6)5-13)14-10-4-7(2)16-17-10/h3-4H,1-2H3,(H2,14,15,16,17)
InChIKeyNLMXNFQXIDBOFX-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 11983545) has the molecular formula C11H10ClN5 and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
PubChem CID11983545
Molecular FormulaC11H10ClN5
Molecular Weight247.69 g/mol
Exact Mass247.06
IUPAC Name2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(Cl)n2)n[nH]1
InChIInChI=1S/C11H10ClN5/c1-6-3-9(15-11(12)8(6)5-13)14-10-4-7(2)16-17-10/h3-4H,1-2H3,(H2,14,15,16,17)
InChIKeyNLMXNFQXIDBOFX-UHFFFAOYSA-N
XLogP2.69
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (CID 11983545) is 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is Cc1cc(Nc2cc(C)c(C#N)c(Cl)n2)n[nH]1.
What is the InChIKey of 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is NLMXNFQXIDBOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5/c1-6-3-9(15-11(12)8(6)5-13)14-10-4-7(2)16-17-10/h3-4H,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 247.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 11983545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).