5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine

C13H12ClN3O2 — CID 89354876

IUPAC5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine
SMILESC=C(OC)c1cncc(Oc2ncc(Cl)cc2N)c1
InChIInChI=1S/C13H12ClN3O2/c1-8(18-2)9-3-11(7-16-5-9)19-13-12(15)4-10(14)6-17-13/h3-7H,1,15H2,2H3
InChIKeyRTPRVTKTFCTWAM-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.12
Rot. Bonds4

About 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine

5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine (PubChem CID 89354876) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine
PubChem CID89354876
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine
SMILESC=C(OC)c1cncc(Oc2ncc(Cl)cc2N)c1
InChIInChI=1S/C13H12ClN3O2/c1-8(18-2)9-3-11(7-16-5-9)19-13-12(15)4-10(14)6-17-13/h3-7H,1,15H2,2H3
InChIKeyRTPRVTKTFCTWAM-UHFFFAOYSA-N
XLogP3.12
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(3-amino-5-chloro-2-pyridinyl)oxy]benzoate
CID 59849870
5-chloro-2-(4-ethoxyphenoxy)pyridin-3-amine
CID 79021347
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]pyridin-3-amine
CID 59849985
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
2,3-dichloro-5-(1-methoxyethenyl)pyridine
CID 89298728
5-chloro-2-[(6-isocyano-3-pyridinyl)oxy]pyridin-3-amine
CID 59849951
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
5-amino-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide
CID 64600181
3-[(3-amino-5-chloro-2-pyridinyl)oxy]pyridine-2-carbonitrile
CID 59849804
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
CID 115474542
6-[(5-chloro-3-pyridinyl)oxy]-2-methoxypyridin-3-amine
CID 64602121
4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
CID 64602118

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine?
The IUPAC name of 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine (CID 89354876) is 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine.
What is the SMILES notation for 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine?
The canonical SMILES for 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine is C=C(OC)c1cncc(Oc2ncc(Cl)cc2N)c1.
What is the InChIKey of 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine?
The InChIKey is RTPRVTKTFCTWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8(18-2)9-3-11(7-16-5-9)19-13-12(15)4-10(14)6-17-13/h3-7H,1,15H2,2H3.
What are the key properties of 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine?
5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine has a molecular weight of 277.71 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[5-(1-methoxyethenyl)-3-pyridinyl]oxy]pyridin-3-amine is sourced from PubChem (CID 89354876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).