3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide

C10H10ClN5 — CID 107060421

IUPAC3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(-n2ccnc2C)c1Cl
InChIInChI=1S/C10H10ClN5/c1-6-14-4-5-16(6)10-8(11)7(9(12)13)2-3-15-10/h2-5H,1H3,(H3,12,13)
InChIKeyNWLBHJQCDHNEFE-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.51
Rot. Bonds2

About 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide

3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide (PubChem CID 107060421) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide
PubChem CID107060421
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(-n2ccnc2C)c1Cl
InChIInChI=1S/C10H10ClN5/c1-6-14-4-5-16(6)10-8(11)7(9(12)13)2-3-15-10/h2-5H,1H3,(H3,12,13)
InChIKeyNWLBHJQCDHNEFE-UHFFFAOYSA-N
XLogP1.51
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide (CID 107060421) is 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(-n2ccnc2C)c1Cl.
What is the InChIKey of 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide?
The InChIKey is NWLBHJQCDHNEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-6-14-4-5-16(6)10-8(11)7(9(12)13)2-3-15-10/h2-5H,1H3,(H3,12,13).
What are the key properties of 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide?
3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide has a molecular weight of 235.68 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 107060421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).