(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine

C9H13ClN2 — CID 55277738

IUPAC(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
SMILESCCC[C@@H](N)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2/c1-2-4-8(11)7-5-3-6-12-9(7)10/h3,5-6,8H,2,4,11H2,1H3/t8-/m1/s1
InChIKeyLBLFFMAVLVYKBX-MRVPVSSYSA-N
MW184.67 g/mol
LogP2.53
Rot. Bonds3

About (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine

(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine (PubChem CID 55277738) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
PubChem CID55277738
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
SMILESCCC[C@@H](N)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2/c1-2-4-8(11)7-5-3-6-12-9(7)10/h3,5-6,8H,2,4,11H2,1H3/t8-/m1/s1
InChIKeyLBLFFMAVLVYKBX-MRVPVSSYSA-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-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171198991
(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
CID 171218513
(1S)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171218514
1-(2-ethoxy-3-pyridinyl)butan-1-amine
CID 55296374
(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine
CID 55262751
1-quinolin-8-ylbutan-1-amine
CID 79016206
ethyl (3S)-3-amino-3-(2-chloro-3-pyridinyl)propanoate
CID 171218538
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344
(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride
CID 171260290
(1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine
CID 130649369
diethyl 2-(2-chloro-3-pyridinyl)propanedioate
CID 141446952

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine?
The IUPAC name of (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine (CID 55277738) is (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine.
What is the SMILES notation for (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine?
The canonical SMILES for (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine is CCC[C@@H](N)c1cccnc1Cl.
What is the InChIKey of (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine?
The InChIKey is LBLFFMAVLVYKBX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-2-4-8(11)7-5-3-6-12-9(7)10/h3,5-6,8H,2,4,11H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine?
(1R)-1-(2-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 (1R)-1-(2-chloro-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 55277738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).