5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile

C9H8ClN3 — CID 130834771

IUPAC5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile
SMILESC=C[C@@H](N)c1cnc(Cl)cc1C#N
InChIInChI=1S/C9H8ClN3/c1-2-8(12)7-5-13-9(10)3-6(7)4-11/h2-3,5,8H,1,12H2/t8-/m1/s1
InChIKeyHNFJIMULFXHJBL-MRVPVSSYSA-N
MW193.64 g/mol
LogP1.79
Rot. Bonds2

About 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile

5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile (PubChem CID 130834771) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile
PubChem CID130834771
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile
SMILESC=C[C@@H](N)c1cnc(Cl)cc1C#N
InChIInChI=1S/C9H8ClN3/c1-2-8(12)7-5-13-9(10)3-6(7)4-11/h2-3,5,8H,1,12H2/t8-/m1/s1
InChIKeyHNFJIMULFXHJBL-MRVPVSSYSA-N
XLogP1.79
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid
CID 130664455
2-[(1S)-1-aminoprop-2-enyl]benzonitrile
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2-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171221589
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
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(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine
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(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
CID 130642219
3-[(1R)-1-aminoprop-2-enyl]-4-fluorobenzonitrile
CID 55273925
4-(1-aminoprop-2-enyl)-3-methylbenzonitrile
CID 130002637
(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171203557
5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile
CID 56697544
6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile
CID 157038112
3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile
CID 130665425

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile?
The IUPAC name of 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile (CID 130834771) is 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile.
What is the SMILES notation for 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile?
The canonical SMILES for 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile is C=C[C@@H](N)c1cnc(Cl)cc1C#N.
What is the InChIKey of 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile?
The InChIKey is HNFJIMULFXHJBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-2-8(12)7-5-13-9(10)3-6(7)4-11/h2-3,5,8H,1,12H2/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile?
5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile has a molecular weight of 193.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile is sourced from PubChem (CID 130834771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).