4-fluoro-3H-pyridin-4-amine

C5H7FN2 — CID 150883510

IUPAC4-fluoro-3H-pyridin-4-amine
SMILESNC1(F)C=CN=CC1
InChIInChI=1S/C5H7FN2/c6-5(7)1-3-8-4-2-5/h1,3-4H,2,7H2
InChIKeyKWNKGTVOOSQMAE-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.60
Rot. Bonds

About 4-fluoro-3H-pyridin-4-amine

4-fluoro-3H-pyridin-4-amine (PubChem CID 150883510) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 4-fluoro-3H-pyridin-4-amine.

Molecular Properties

Compound Name4-fluoro-3H-pyridin-4-amine
PubChem CID150883510
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name4-fluoro-3H-pyridin-4-amine
SMILESNC1(F)C=CN=CC1
InChIInChI=1S/C5H7FN2/c6-5(7)1-3-8-4-2-5/h1,3-4H,2,7H2
InChIKeyKWNKGTVOOSQMAE-UHFFFAOYSA-N
XLogP0.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
4-chloro-3-fluoro-3H-pyridin-4-amine
CID 68520456
3-(Fluoromethyl)pyrrol-3-amine
CID 141093179
3-Fluoro-3,4-dihydropyridin-6-amine
CID 153184439
(3R)-3-fluoro-3,4-dihydropyridin-6-amine
CID 164060921
4-(trifluoromethyl)-3H-pyridin-4-amine
CID 174942082
4H-pyridin-3-imine
CID 21297587
3,4-Dihydropyridin-4-amine
CID 53872884
4-Chloro-4-amino-pyridine
CID 67242974
3H-pyridine-4,4-diamine
CID 154318605
3H-pyridin-3-ylium-4-imine
CID 101048392

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3H-pyridin-4-amine?
The IUPAC name of 4-fluoro-3H-pyridin-4-amine (CID 150883510) is 4-fluoro-3H-pyridin-4-amine.
What is the SMILES notation for 4-fluoro-3H-pyridin-4-amine?
The canonical SMILES for 4-fluoro-3H-pyridin-4-amine is NC1(F)C=CN=CC1.
What is the InChIKey of 4-fluoro-3H-pyridin-4-amine?
The InChIKey is KWNKGTVOOSQMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-5(7)1-3-8-4-2-5/h1,3-4H,2,7H2.
What are the key properties of 4-fluoro-3H-pyridin-4-amine?
4-fluoro-3H-pyridin-4-amine has a molecular weight of 114.12 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3H-pyridin-4-amine is sourced from PubChem (CID 150883510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).