N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine

C13H12BrN3 — CID 6273160

IUPACN-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3/c1-10(11-5-7-12(14)8-6-11)16-17-13-4-2-3-9-15-13/h2-9H,1H3,(H,15,17)/b16-10-
InChIKeyCYGXBCMEAMPDIX-YBEGLDIGSA-N
MW290.16 g/mol
LogP3.68
Rot. Bonds3

About N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine

N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine (PubChem CID 6273160) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine
PubChem CID6273160
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3/c1-10(11-5-7-12(14)8-6-11)16-17-13-4-2-3-9-15-13/h2-9H,1H3,(H,15,17)/b16-10-
InChIKeyCYGXBCMEAMPDIX-YBEGLDIGSA-N
XLogP3.68
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-phenylphenyl)ethylideneamino]pyridin-2-amine
CID 3582287
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]pyridin-2-amine
CID 9121645
N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]pyridin-2-amine
CID 9121631
2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide
CID 6217616
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
CID 4546533
N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121640
5-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]furan-2-carboxylate
CID 9121729
(2S)-2-[[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]sulfonylamino]propanoic acid
CID 8978780
N-[(Z)-1-(3-bromophenyl)propylideneamino]pyridin-2-amine
CID 9121657
N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121690
4-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzene-1,3-diol
CID 135612559

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine?
The IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine (CID 6273160) is N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine is C/C(=N/Nc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine?
The InChIKey is CYGXBCMEAMPDIX-YBEGLDIGSA-N. The full InChI is InChI=1S/C13H12BrN3/c1-10(11-5-7-12(14)8-6-11)16-17-13-4-2-3-9-15-13/h2-9H,1H3,(H,15,17)/b16-10-.
What are the key properties of N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine?
N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine has a molecular weight of 290.16 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine is sourced from PubChem (CID 6273160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).