2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine

C10H12ClN3 — CID 163673162

IUPAC2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine
SMILESC/N=C(\C)C(Cl)=C(N)c1ccncc1
InChIInChI=1S/C10H12ClN3/c1-7(13-2)9(11)10(12)8-3-5-14-6-4-8/h3-6H,12H2,1-2H3/b10-9?,13-7+
InChIKeyDFDXNYMQLARHII-FHAVEDARSA-N
MW209.68 g/mol
LogP2.04
Rot. Bonds2

About 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine

2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine (PubChem CID 163673162) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine.

Molecular Properties

Compound Name2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine
PubChem CID163673162
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine
SMILESC/N=C(\C)C(Cl)=C(N)c1ccncc1
InChIInChI=1S/C10H12ClN3/c1-7(13-2)9(11)10(12)8-3-5-14-6-4-8/h3-6H,12H2,1-2H3/b10-9?,13-7+
InChIKeyDFDXNYMQLARHII-FHAVEDARSA-N
XLogP2.04
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine
CID 144666599
propan-2-one;pyridine-4-carboxamide
CID 174689468
2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
CID 15857248
N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
CID 172958470
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
pyridine-4-carbothioyl chloride
CID 18800884
N'-tert-butylpyridine-4-carboximidamide
CID 63181474
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
(E)-3-amino-3-(4-bromophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 113365334
(1-pyridin-4-ylethylideneamino) acetate
CID 585758
copper;acetic acid;bis(pyridine-4-carboxamide);diacetate
CID 139155367
(E)-3-amino-3-(4-iodophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 113365321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine?
The IUPAC name of 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine (CID 163673162) is 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine.
What is the SMILES notation for 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine?
The canonical SMILES for 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine is C/N=C(\C)C(Cl)=C(N)c1ccncc1.
What is the InChIKey of 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine?
The InChIKey is DFDXNYMQLARHII-FHAVEDARSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-7(13-2)9(11)10(12)8-3-5-14-6-4-8/h3-6H,12H2,1-2H3/b10-9?,13-7+.
What are the key properties of 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine?
2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine has a molecular weight of 209.68 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylimino-1-pyridin-4-ylbut-1-en-1-amine is sourced from PubChem (CID 163673162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).