N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine

C9H9ClN2 — CID 170974337

IUPACN-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine
SMILESC=Nc1nc(Cl)ccc1C(=C)C
InChIInChI=1S/C9H9ClN2/c1-6(2)7-4-5-8(10)12-9(7)11-3/h4-5H,1,3H2,2H3
InChIKeyLIPNVANAFKIGPB-UHFFFAOYSA-N
MW180.64 g/mol
LogP3.10
Rot. Bonds2

About N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine

N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine (PubChem CID 170974337) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine.

Molecular Properties

Compound NameN-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine
PubChem CID170974337
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC NameN-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine
SMILESC=Nc1nc(Cl)ccc1C(=C)C
InChIInChI=1S/C9H9ClN2/c1-6(2)7-4-5-8(10)12-9(7)11-3/h4-5H,1,3H2,2H3
InChIKeyLIPNVANAFKIGPB-UHFFFAOYSA-N
XLogP3.10
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine?
The IUPAC name of N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine (CID 170974337) is N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine.
What is the SMILES notation for N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine?
The canonical SMILES for N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine is C=Nc1nc(Cl)ccc1C(=C)C.
What is the InChIKey of N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine?
The InChIKey is LIPNVANAFKIGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6(2)7-4-5-8(10)12-9(7)11-3/h4-5H,1,3H2,2H3.
What are the key properties of N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine?
N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine has a molecular weight of 180.64 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine is sourced from PubChem (CID 170974337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).