(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine

C8H8ClFN2 — CID 130642219

IUPAC(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cnc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2/c1-2-7(11)5-3-6(9)8(10)12-4-5/h2-4,7H,1,11H2/t7-/m1/s1
InChIKeyKTSFXYSHKNYDAE-SSDOTTSWSA-N
MW186.62 g/mol
LogP2.06
Rot. Bonds2

About (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine

(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine (PubChem CID 130642219) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
PubChem CID130642219
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cnc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2/c1-2-7(11)5-3-6(9)8(10)12-4-5/h2-4,7H,1,11H2/t7-/m1/s1
InChIKeyKTSFXYSHKNYDAE-SSDOTTSWSA-N
XLogP2.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 52.06
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

(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 131029081
(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55278214
1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55271412
5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid
CID 131026111
4-[(1R)-1-aminoprop-2-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205225
(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine
CID 131140438
4-[(1R)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171202442
4-[(1S)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171221995
1-(5-chloro-6-fluoro-3-pyridinyl)butane-1,2,4-triol
CID 171872046
(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 130664334
(1S)-1-(3,4,5-trifluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171225393
5-[(1R)-1-aminoprop-2-enyl]pyridin-3-ol
CID 55275233

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine (CID 130642219) is (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine is C=C[C@@H](N)c1cnc(F)c(Cl)c1.
What is the InChIKey of (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine?
The InChIKey is KTSFXYSHKNYDAE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8ClFN2/c1-2-7(11)5-3-6(9)8(10)12-4-5/h2-4,7H,1,11H2/t7-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine?
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine has a molecular weight of 186.62 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 130642219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).