(3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine

C9H11ClN2 — CID 143712815

IUPAC(3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine
SMILESC/C=C1/CC=CN=C1N/C=C/Cl
InChIInChI=1S/C9H11ClN2/c1-2-8-4-3-6-11-9(8)12-7-5-10/h2-3,5-7H,4H2,1H3,(H,11,12)/b7-5+,8-2-
InChIKeyOGLSCAVXBSHCON-NCIZPPAFSA-N
MW182.65 g/mol
LogP2.55
Rot. Bonds1

About (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine

(3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine (PubChem CID 143712815) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine.

Molecular Properties

Compound Name(3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine
PubChem CID143712815
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name(3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine
SMILESC/C=C1/CC=CN=C1N/C=C/Cl
InChIInChI=1S/C9H11ClN2/c1-2-8-4-3-6-11-9(8)12-7-5-10/h2-3,5-7H,4H2,1H3,(H,11,12)/b7-5+,8-2-
InChIKeyOGLSCAVXBSHCON-NCIZPPAFSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 88569346
5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89259806
(5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89260859
(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 91246509
(2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide
CID 123286684
2-[(3E)-4-chloropenta-1,3-dien-2-yl]-1,4-dihydropyrimidine
CID 123798047
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
ethane;(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 143320826
5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 143711961
5-Chloro-1,5,6,7-tetrahydropyrrolo[2,3-b]azepine
CID 143712040
5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
CID 143712066

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine?
The IUPAC name of (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine (CID 143712815) is (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine.
What is the SMILES notation for (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine?
The canonical SMILES for (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine is C/C=C1/CC=CN=C1N/C=C/Cl.
What is the InChIKey of (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine?
The InChIKey is OGLSCAVXBSHCON-NCIZPPAFSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-2-8-4-3-6-11-9(8)12-7-5-10/h2-3,5-7H,4H2,1H3,(H,11,12)/b7-5+,8-2-.
What are the key properties of (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine?
(3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine has a molecular weight of 182.65 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine is sourced from PubChem (CID 143712815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).