N,N-diethyl-3-fluoropyridin-4-amine

C9H13FN2 — CID 91326700

IUPACN,N-diethyl-3-fluoropyridin-4-amine
SMILESCCN(CC)c1ccncc1F
InChIInChI=1S/C9H13FN2/c1-3-12(4-2)9-5-6-11-7-8(9)10/h5-7H,3-4H2,1-2H3
InChIKeyWWGFKZBXVFWQAJ-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.07
Rot. Bonds3

About N,N-diethyl-3-fluoropyridin-4-amine

N,N-diethyl-3-fluoropyridin-4-amine (PubChem CID 91326700) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is N,N-diethyl-3-fluoropyridin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-3-fluoropyridin-4-amine
PubChem CID91326700
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC NameN,N-diethyl-3-fluoropyridin-4-amine
SMILESCCN(CC)c1ccncc1F
InChIInChI=1S/C9H13FN2/c1-3-12(4-2)9-5-6-11-7-8(9)10/h5-7H,3-4H2,1-2H3
InChIKeyWWGFKZBXVFWQAJ-UHFFFAOYSA-N
XLogP2.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoropyridin-4-amine?
The IUPAC name of N,N-diethyl-3-fluoropyridin-4-amine (CID 91326700) is N,N-diethyl-3-fluoropyridin-4-amine.
What is the SMILES notation for N,N-diethyl-3-fluoropyridin-4-amine?
The canonical SMILES for N,N-diethyl-3-fluoropyridin-4-amine is CCN(CC)c1ccncc1F.
What is the InChIKey of N,N-diethyl-3-fluoropyridin-4-amine?
The InChIKey is WWGFKZBXVFWQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-3-12(4-2)9-5-6-11-7-8(9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-fluoropyridin-4-amine?
N,N-diethyl-3-fluoropyridin-4-amine has a molecular weight of 168.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoropyridin-4-amine is sourced from PubChem (CID 91326700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).