(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine

C8H12FN3 — CID 55274137

IUPAC(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1cc([C@H](N)CN)cnc1F
InChIInChI=1S/C8H12FN3/c1-5-2-6(7(11)3-10)4-12-8(5)9/h2,4,7H,3,10-11H2,1H3/t7-/m1/s1
InChIKeyMGEDHXXTZHVVSE-SSDOTTSWSA-N
MW169.20 g/mol
LogP0.49
Rot. Bonds2

About (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine

(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 55274137) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine
PubChem CID55274137
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCc1cc([C@H](N)CN)cnc1F
InChIInChI=1S/C8H12FN3/c1-5-2-6(7(11)3-10)4-12-8(5)9/h2,4,7H,3,10-11H2,1H3/t7-/m1/s1
InChIKeyMGEDHXXTZHVVSE-SSDOTTSWSA-N
XLogP0.49
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine
CID 130673428
3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
CID 55272910
(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol
CID 55292212
5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine
CID 130738641
3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol
CID 171861738
(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol
CID 146531706
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
5-ethyl-2-fluoro-3-methylpyridine
CID 67989338
5-(1-aminobutyl)-2-fluoropyridin-3-amine
CID 55294196
(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine
CID 131097721
1-(6-chloro-4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55273502
3-(6-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869933

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine (CID 55274137) is (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine is Cc1cc([C@H](N)CN)cnc1F.
What is the InChIKey of (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is MGEDHXXTZHVVSE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12FN3/c1-5-2-6(7(11)3-10)4-12-8(5)9/h2,4,7H,3,10-11H2,1H3/t7-/m1/s1.
What are the key properties of (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine?
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 169.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 55274137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).