3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine

C9H13FN2 — CID 158083783

IUPAC3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(F)=CC(C)=CN1N(C)C
InChIInChI=1S/C9H13FN2/c1-7-5-9(10)8(2)12(6-7)11(3)4/h5-6H,2H2,1,3-4H3
InChIKeyHQQBHEAFEQKFNR-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.05
Rot. Bonds1

About 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine

3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine (PubChem CID 158083783) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine
PubChem CID158083783
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(F)=CC(C)=CN1N(C)C
InChIInChI=1S/C9H13FN2/c1-7-5-9(10)8(2)12(6-7)11(3)4/h5-6H,2H2,1,3-4H3
InChIKeyHQQBHEAFEQKFNR-UHFFFAOYSA-N
XLogP2.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-2-(6-fluorocyclohexa-1,5-dien-1-yl)-1,2-diazabicyclo[3.1.1]hepta-3,5-diene
CID 71130150
1-(2H-pyridin-1-yl)-5-(trifluoromethyl)-2H-pyridine
CID 89926661
4-(Difluoromethyl)-1,5-dimethyl-2-methylidenepyridine
CID 145359778
2-fluoro-1,4,6-trimethyl-2H-pyridine
CID 150620231
1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine
CID 154495491
N,N,3-trimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
CID 160667563
N,N-dimethyl-2-methylidene-5-(trifluoromethyl)pyridin-1-amine
CID 163687782
2-butyl-1-[(2E)-6-fluoro-2-methylhepta-2,6-dienyl]-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine
CID 166651367
1-[(Z)-3,4-difluoro-2-methylidenepent-3-enyl]-2,2-dimethyl-1-penta-1,4-dien-2-ylhydrazine
CID 166651400
(Z)-N-(4-fluoro-5-methyl-2-methylidene-1-pyridinyl)ethanimine
CID 166858571
1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine
CID 166907430
4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 144782670

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
The IUPAC name of 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine (CID 158083783) is 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine is C=C1C(F)=CC(C)=CN1N(C)C.
What is the InChIKey of 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
The InChIKey is HQQBHEAFEQKFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-7-5-9(10)8(2)12(6-7)11(3)4/h5-6H,2H2,1,3-4H3.
What are the key properties of 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine?
3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine has a molecular weight of 168.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 158083783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).