(Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine

C10H14FN3 — CID 165121016

IUPAC(Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)CC1=CC=CC(F)N1C
InChIInChI=1S/C10H14FN3/c1-14-9(3-2-4-10(14)11)5-8(6-12)7-13/h2-4,6-7,10,12H,5,13H2,1H3/b8-7-,12-6+
InChIKeyQGIUERCSKPJZIL-HRZQEMGZSA-N
MW195.24 g/mol
LogP1.55
Rot. Bonds3

About (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine

(Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine (PubChem CID 165121016) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine
PubChem CID165121016
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name(Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)CC1=CC=CC(F)N1C
InChIInChI=1S/C10H14FN3/c1-14-9(3-2-4-10(14)11)5-8(6-12)7-13/h2-4,6-7,10,12H,5,13H2,1H3/b8-7-,12-6+
InChIKeyQGIUERCSKPJZIL-HRZQEMGZSA-N
XLogP1.55
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine (CID 165121016) is (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)CC1=CC=CC(F)N1C.
What is the InChIKey of (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine?
The InChIKey is QGIUERCSKPJZIL-HRZQEMGZSA-N. The full InChI is InChI=1S/C10H14FN3/c1-14-9(3-2-4-10(14)11)5-8(6-12)7-13/h2-4,6-7,10,12H,5,13H2,1H3/b8-7-,12-6+.
What are the key properties of (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine?
(Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine has a molecular weight of 195.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 165121016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).