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

C12H12ClN5O — CID 11983604

IUPAC2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile
SMILESCCOc1cc(Nc2cc(C)c(C#N)c(Cl)n2)[nH]n1
InChIInChI=1S/C12H12ClN5O/c1-3-19-11-5-10(17-18-11)15-9-4-7(2)8(6-14)12(13)16-9/h4-5H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyOIFAMJTWXUZKSA-UHFFFAOYSA-N
MW277.72 g/mol
LogP2.78
Rot. Bonds4

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

2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile (PubChem CID 11983604) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile
PubChem CID11983604
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile
SMILESCCOc1cc(Nc2cc(C)c(C#N)c(Cl)n2)[nH]n1
InChIInChI=1S/C12H12ClN5O/c1-3-19-11-5-10(17-18-11)15-9-4-7(2)8(6-14)12(13)16-9/h4-5H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyOIFAMJTWXUZKSA-UHFFFAOYSA-N
XLogP2.78
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile (CID 11983604) is 2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile is CCOc1cc(Nc2cc(C)c(C#N)c(Cl)n2)[nH]n1.
What is the InChIKey of 2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile?
The InChIKey is OIFAMJTWXUZKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-3-19-11-5-10(17-18-11)15-9-4-7(2)8(6-14)12(13)16-9/h4-5H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile?
2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile has a molecular weight of 277.72 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 11983604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).