2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol

C14H11Cl2N3O — CID 5303669

IUPAC2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C14H11Cl2N3O/c15-10-4-9(14(20)11(16)5-10)6-17-12-3-1-2-8-7-18-19-13(8)12/h1-5,7,17,20H,6H2,(H,18,19)
InChIKeyDKWZIPPWEKCIBM-UHFFFAOYSA-N
MW308.17 g/mol
LogP4.19
Rot. Bonds3

About 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol

2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol (PubChem CID 5303669) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol
PubChem CID5303669
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C14H11Cl2N3O/c15-10-4-9(14(20)11(16)5-10)6-17-12-3-1-2-8-7-18-19-13(8)12/h1-5,7,17,20H,6H2,(H,18,19)
InChIKeyDKWZIPPWEKCIBM-UHFFFAOYSA-N
XLogP4.19
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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CID 795056
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CID 1510372
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CID 170358681
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CID 6419243
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CID 43539964
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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol (CID 5303669) is 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol is Oc1c(Cl)cc(Cl)cc1CNc1cccc2cn[nH]c12.
What is the InChIKey of 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol?
The InChIKey is DKWZIPPWEKCIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-10-4-9(14(20)11(16)5-10)6-17-12-3-1-2-8-7-18-19-13(8)12/h1-5,7,17,20H,6H2,(H,18,19).
What are the key properties of 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol?
2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol has a molecular weight of 308.17 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(1H-indazol-7-ylamino)methyl]phenol is sourced from PubChem (CID 5303669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).