(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine

C9H11ClN2 — CID 131140438

IUPAC(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cnc(C)cc1Cl
InChIInChI=1S/C9H11ClN2/c1-3-9(11)7-5-12-6(2)4-8(7)10/h3-5,9H,1,11H2,2H3/t9-/m1/s1
InChIKeyVCZDYPLKWWREIJ-SECBINFHSA-N
MW182.65 g/mol
LogP2.23
Rot. Bonds2

About (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine

(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine (PubChem CID 131140438) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine
PubChem CID131140438
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cnc(C)cc1Cl
InChIInChI=1S/C9H11ClN2/c1-3-9(11)7-5-12-6(2)4-8(7)10/h3-5,9H,1,11H2,2H3/t9-/m1/s1
InChIKeyVCZDYPLKWWREIJ-SECBINFHSA-N
XLogP2.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine
CID 130645436
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
CID 130955912
3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
CID 55291745
(1S)-1-(2,3-dichloro-5-fluorophenyl)prop-2-en-1-amine
CID 130782154
(1S)-1-(5-chloro-2-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 130747269
5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile
CID 130834771
1-(2-chloro-6-methyl-4-pyridinyl)prop-2-en-1-amine
CID 55291769
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
4-chloro-2,5-dimethylpyridine;ethane
CID 176713957
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
CID 130642219
(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 131223734
1-(2-chloro-5-fluorophenyl)prop-2-en-1-amine
CID 55271189

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine (CID 131140438) is (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine is C=C[C@@H](N)c1cnc(C)cc1Cl.
What is the InChIKey of (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine?
The InChIKey is VCZDYPLKWWREIJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-3-9(11)7-5-12-6(2)4-8(7)10/h3-5,9H,1,11H2,2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine?
(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine has a molecular weight of 182.65 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 131140438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).