4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile

C10H8ClN5 — CID 152895451

IUPAC4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-n2cc(CCl)cn2)cc1N
InChIInChI=1S/C10H8ClN5/c11-2-7-4-15-16(6-7)10-1-9(13)8(3-12)5-14-10/h1,4-6H,2H2,(H2,13,14)
InChIKeyUEGWZAYYEZYFIS-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.46
Rot. Bonds2

About 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile

4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile (PubChem CID 152895451) has the molecular formula C10H8ClN5 and a molecular weight of 233.66 g/mol. Its IUPAC name is 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile
PubChem CID152895451
Molecular FormulaC10H8ClN5
Molecular Weight233.66 g/mol
Exact Mass233.05
IUPAC Name4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-n2cc(CCl)cn2)cc1N
InChIInChI=1S/C10H8ClN5/c11-2-7-4-15-16(6-7)10-1-9(13)8(3-12)5-14-10/h1,4-6H,2H2,(H2,13,14)
InChIKeyUEGWZAYYEZYFIS-UHFFFAOYSA-N
XLogP1.46
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile (CID 152895451) is 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile is N#Cc1cnc(-n2cc(CCl)cn2)cc1N.
What is the InChIKey of 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is UEGWZAYYEZYFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5/c11-2-7-4-15-16(6-7)10-1-9(13)8(3-12)5-14-10/h1,4-6H,2H2,(H2,13,14).
What are the key properties of 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile?
4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 233.66 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 152895451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).