N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine

C10H11FN2 — CID 90154146

IUPACN-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
SMILESC=N/C=C(\C)N1C=C(F)C=CC1=C
InChIInChI=1S/C10H11FN2/c1-8-4-5-10(11)7-13(8)9(2)6-12-3/h4-7H,1,3H2,2H3/b9-6+
InChIKeyATDDNYVOJPZVBQ-RMKNXTFCSA-N
MW178.21 g/mol
LogP2.74
Rot. Bonds2

About N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine

N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine (PubChem CID 90154146) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
PubChem CID90154146
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC NameN-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
SMILESC=N/C=C(\C)N1C=C(F)C=CC1=C
InChIInChI=1S/C10H11FN2/c1-8-4-5-10(11)7-13(8)9(2)6-12-3/h4-7H,1,3H2,2H3/b9-6+
InChIKeyATDDNYVOJPZVBQ-RMKNXTFCSA-N
XLogP2.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-fluoro-1-methyl-2-prop-2-enylidenepyridine
CID 88227504
5-Fluoro-1-methyl-2-methylidenepyridine
CID 123408310
N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
CID 123683639
N-[3-(5-fluoro-2-methyl-2H-pyridin-1-yl)prop-1-enyl]methanimine
CID 146384044
2-fluoro-1-propan-2-yl-2H-pyridine
CID 151554694
(3Z)-5-fluoro-N,N-dimethyl-4-(methylideneamino)hexa-1,3,5-trien-3-amine
CID 153621230
(3E)-N-ethenyl-2-fluoro-N-methylhexa-1,3,5-trien-3-amine
CID 166785119
(3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine
CID 166970745
(2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine
CID 167053063
CID 168226502
CID 168226502
3-Fluoro-1-methyl-2-methylidenepyridine
CID 169203233
3-Fluoro-2-methylidene-1-propan-2-ylpyridine
CID 175639311

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine (CID 90154146) is N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine is C=N/C=C(\C)N1C=C(F)C=CC1=C.
What is the InChIKey of N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine?
The InChIKey is ATDDNYVOJPZVBQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H11FN2/c1-8-4-5-10(11)7-13(8)9(2)6-12-3/h4-7H,1,3H2,2H3/b9-6+.
What are the key properties of N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine?
N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine has a molecular weight of 178.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine is sourced from PubChem (CID 90154146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).