2-chloro-5-ethenyl-N-methylpyridin-4-amine

C8H9ClN2 — CID 144806853

IUPAC2-chloro-5-ethenyl-N-methylpyridin-4-amine
SMILESC=Cc1cnc(Cl)cc1NC
InChIInChI=1S/C8H9ClN2/c1-3-6-5-11-8(9)4-7(6)10-2/h3-5H,1H2,2H3,(H,10,11)
InChIKeyRGHHIICNCQDNSR-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.42
Rot. Bonds2

About 2-chloro-5-ethenyl-N-methylpyridin-4-amine

2-chloro-5-ethenyl-N-methylpyridin-4-amine (PubChem CID 144806853) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 2-chloro-5-ethenyl-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-ethenyl-N-methylpyridin-4-amine
PubChem CID144806853
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name2-chloro-5-ethenyl-N-methylpyridin-4-amine
SMILESC=Cc1cnc(Cl)cc1NC
InChIInChI=1S/C8H9ClN2/c1-3-6-5-11-8(9)4-7(6)10-2/h3-5H,1H2,2H3,(H,10,11)
InChIKeyRGHHIICNCQDNSR-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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

2-chloro-5-fluoro-N-methylpyridin-4-amine
CID 118992251
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
6-chloro-4-ethenylpyridin-3-ol
CID 74892695
2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine
CID 134484591
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
2-chloro-N-methyl-5-[2-(trimethyl-λ4-sulfanyl)ethynyl]pyridin-4-amine
CID 130433744
CID 174075821
CID 174075821
N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine
CID 167080766
3-chloro-5-ethenyl-N,N-dimethylisoquinolin-8-amine
CID 177117108
2-ethenyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 169168599
1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine
CID 71953011

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethenyl-N-methylpyridin-4-amine?
The IUPAC name of 2-chloro-5-ethenyl-N-methylpyridin-4-amine (CID 144806853) is 2-chloro-5-ethenyl-N-methylpyridin-4-amine.
What is the SMILES notation for 2-chloro-5-ethenyl-N-methylpyridin-4-amine?
The canonical SMILES for 2-chloro-5-ethenyl-N-methylpyridin-4-amine is C=Cc1cnc(Cl)cc1NC.
What is the InChIKey of 2-chloro-5-ethenyl-N-methylpyridin-4-amine?
The InChIKey is RGHHIICNCQDNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-3-6-5-11-8(9)4-7(6)10-2/h3-5H,1H2,2H3,(H,10,11).
What are the key properties of 2-chloro-5-ethenyl-N-methylpyridin-4-amine?
2-chloro-5-ethenyl-N-methylpyridin-4-amine has a molecular weight of 168.63 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethenyl-N-methylpyridin-4-amine is sourced from PubChem (CID 144806853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).