(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine

C9H13ClN2 — CID 131097718

IUPAC(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
SMILESCCC[C@H](N)c1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2/c1-2-3-8(11)7-4-5-9(10)12-6-7/h4-6,8H,2-3,11H2,1H3/t8-/m0/s1
InChIKeyAVPHWIFOKXNSEP-QMMMGPOBSA-N
MW184.67 g/mol
LogP2.53
Rot. Bonds3

About (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine

(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine (PubChem CID 131097718) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
PubChem CID131097718
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
SMILESCCC[C@H](N)c1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2/c1-2-3-8(11)7-4-5-9(10)12-6-7/h4-6,8H,2-3,11H2,1H3/t8-/m0/s1
InChIKeyAVPHWIFOKXNSEP-QMMMGPOBSA-N
XLogP2.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
(1S)-1-(6-chloro-3-pyridinyl)butane-1,4-diamine
CID 171218298
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171198796
[5-[(1R)-1-aminobutyl]-2-pyridinyl]methanol
CID 55276847
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
1-(6-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55272792
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
(1S)-1-(6-chloro-3-pyridinyl)-3-methylbut-3-en-1-amine
CID 131057518
2-(6-chloro-3-pyridinyl)pentanal
CID 170986632
ethyl (3S)-3-amino-3-(6-chloro-3-pyridinyl)propanoate
CID 171218331
N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide
CID 70888079

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine?
The IUPAC name of (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine (CID 131097718) is (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine.
What is the SMILES notation for (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine?
The canonical SMILES for (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine is CCC[C@H](N)c1ccc(Cl)nc1.
What is the InChIKey of (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine?
The InChIKey is AVPHWIFOKXNSEP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-2-3-8(11)7-4-5-9(10)12-6-7/h4-6,8H,2-3,11H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine?
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine has a molecular weight of 184.67 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 131097718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).