(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride

C9H12ClFN2 — CID 171203354

IUPAC(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1cccnc1F.Cl
InChIInChI=1S/C9H11FN2.ClH/c1-2-4-8(11)7-5-3-6-12-9(7)10;/h2-3,5-6,8H,1,4,11H2;1H/t8-;/m1./s1
InChIKeyWTGKMBZUUCIAGV-DDWIOCJRSA-N
MW202.66 g/mol
LogP2.22
Rot. Bonds3

About (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride

(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride (PubChem CID 171203354) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
PubChem CID171203354
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
SMILESC=CC[C@@H](N)c1cccnc1F.Cl
InChIInChI=1S/C9H11FN2.ClH/c1-2-4-8(11)7-5-3-6-12-9(7)10;/h2-3,5-6,8H,1,4,11H2;1H/t8-;/m1./s1
InChIKeyWTGKMBZUUCIAGV-DDWIOCJRSA-N
XLogP2.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171312984
(1S)-3,3,3-trifluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171222927
(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171222925
(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171203362
(1S)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171222929
(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203348
(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 55294134
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106
(1R)-1-(3-bromo-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171203684
(1S)-1-(3-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171228893
2-[(1R)-1-aminobut-3-enyl]-6-fluorophenol;hydrochloride
CID 171198918
(1S)-1-[2-(difluoromethyl)phenyl]but-3-en-1-amine
CID 55270848

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride (CID 171203354) is (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride is C=CC[C@@H](N)c1cccnc1F.Cl.
What is the InChIKey of (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride?
The InChIKey is WTGKMBZUUCIAGV-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H11FN2.ClH/c1-2-4-8(11)7-5-3-6-12-9(7)10;/h2-3,5-6,8H,1,4,11H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride?
(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride has a molecular weight of 202.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride is sourced from PubChem (CID 171203354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).