6-chloro-N-prop-1-en-2-ylpyridin-3-amine

C8H9ClN2 — CID 89013102

IUPAC6-chloro-N-prop-1-en-2-ylpyridin-3-amine
SMILESC=C(C)Nc1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2/c1-6(2)11-7-3-4-8(9)10-5-7/h3-5,11H,1H2,2H3
InChIKeyHARNUSMTOWZIEA-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.68
Rot. Bonds2

About 6-chloro-N-prop-1-en-2-ylpyridin-3-amine

6-chloro-N-prop-1-en-2-ylpyridin-3-amine (PubChem CID 89013102) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 6-chloro-N-prop-1-en-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-prop-1-en-2-ylpyridin-3-amine
PubChem CID89013102
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name6-chloro-N-prop-1-en-2-ylpyridin-3-amine
SMILESC=C(C)Nc1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2/c1-6(2)11-7-3-4-8(9)10-5-7/h3-5,11H,1H2,2H3
InChIKeyHARNUSMTOWZIEA-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.68
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

1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
6-chloro-N-trimethylsilylpyridin-3-amine
CID 134860798
1-(6-chloro-3-pyridinyl)-3-methyl-2-nitroguanidine
CID 177457782
N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 81489773
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
2-[(6-chloro-3-pyridinyl)amino]ethanol
CID 118956304
N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 81490002
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
[(6-chloro-3-pyridinyl)amino]methanethiol
CID 88611899
cis-(1S,3R)-3-[(6-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389956

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-prop-1-en-2-ylpyridin-3-amine?
The IUPAC name of 6-chloro-N-prop-1-en-2-ylpyridin-3-amine (CID 89013102) is 6-chloro-N-prop-1-en-2-ylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-prop-1-en-2-ylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-prop-1-en-2-ylpyridin-3-amine is C=C(C)Nc1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-prop-1-en-2-ylpyridin-3-amine?
The InChIKey is HARNUSMTOWZIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-6(2)11-7-3-4-8(9)10-5-7/h3-5,11H,1H2,2H3.
What are the key properties of 6-chloro-N-prop-1-en-2-ylpyridin-3-amine?
6-chloro-N-prop-1-en-2-ylpyridin-3-amine has a molecular weight of 168.63 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-prop-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 89013102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).