N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine

C14H13Br2N3O2 — CID 110505661

IUPACN-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1c(Br)cc(/C=N/Nc2ccccn2)c(OC)c1Br
InChIInChI=1S/C14H13Br2N3O2/c1-20-13-9(7-10(15)14(21-2)12(13)16)8-18-19-11-5-3-4-6-17-11/h3-8H,1-2H3,(H,17,19)/b18-8+
InChIKeyULAKJBPEZYCHPU-QGMBQPNBSA-N
MW415.09 g/mol
LogP4.07
Rot. Bonds5

About N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine

N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 110505661) has the molecular formula C14H13Br2N3O2 and a molecular weight of 415.09 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID110505661
Molecular FormulaC14H13Br2N3O2
Molecular Weight415.09 g/mol
Exact Mass412.94
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1c(Br)cc(/C=N/Nc2ccccn2)c(OC)c1Br
InChIInChI=1S/C14H13Br2N3O2/c1-20-13-9(7-10(15)14(21-2)12(13)16)8-18-19-11-5-3-4-6-17-11/h3-8H,1-2H3,(H,17,19)/b18-8+
InChIKeyULAKJBPEZYCHPU-QGMBQPNBSA-N
XLogP4.07
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.09
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4235681
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
7-methoxy-3-[(pyridin-2-ylhydrazinylidene)methyl]chromen-4-one
CID 70622612
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135904945
N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842527
N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine
CID 84888865
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842528
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
CID 4546533
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 9121741
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine (CID 110505661) is N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine is COc1c(Br)cc(/C=N/Nc2ccccn2)c(OC)c1Br.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is ULAKJBPEZYCHPU-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H13Br2N3O2/c1-20-13-9(7-10(15)14(21-2)12(13)16)8-18-19-11-5-3-4-6-17-11/h3-8H,1-2H3,(H,17,19)/b18-8+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 415.09 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 110505661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).