N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine

C10H13FN2 — CID 146384044

IUPACN-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine
SMILESC=NC=CCN1C=C(F)C=CC1C
InChIInChI=1S/C10H13FN2/c1-9-4-5-10(11)8-13(9)7-3-6-12-2/h3-6,8-9H,2,7H2,1H3
InChIKeyYNQCFVOZCUJSST-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.27
Rot. Bonds3

About N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine

N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine (PubChem CID 146384044) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine
PubChem CID146384044
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC NameN-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine
SMILESC=NC=CCN1C=C(F)C=CC1C
InChIInChI=1S/C10H13FN2/c1-9-4-5-10(11)8-13(9)7-3-6-12-2/h3-6,8-9H,2,7H2,1H3
InChIKeyYNQCFVOZCUJSST-UHFFFAOYSA-N
XLogP2.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine?
The IUPAC name of N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine (CID 146384044) is N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine.
What is the SMILES notation for N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine?
The canonical SMILES for N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine is C=NC=CCN1C=C(F)C=CC1C.
What is the InChIKey of N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine?
The InChIKey is YNQCFVOZCUJSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-9-4-5-10(11)8-13(9)7-3-6-12-2/h3-6,8-9H,2,7H2,1H3.
What are the key properties of N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine?
N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine has a molecular weight of 180.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine is sourced from PubChem (CID 146384044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).