[3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol

C14H12F2N4O — CID 134444003

IUPAC[3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol
SMILESOC(Nc1cccc(C(F)F)c1)c1ccnc2nc[nH]c12
InChIInChI=1S/C14H12F2N4O/c15-12(16)8-2-1-3-9(6-8)20-14(21)10-4-5-17-13-11(10)18-7-19-13/h1-7,12,14,20-21H,(H,17,18,19)
InChIKeyDZFARNASBBWKOO-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.00
Rot. Bonds4

About [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol

[3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol (PubChem CID 134444003) has the molecular formula C14H12F2N4O and a molecular weight of 290.27 g/mol. Its IUPAC name is [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol
PubChem CID134444003
Molecular FormulaC14H12F2N4O
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name[3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol
SMILESOC(Nc1cccc(C(F)F)c1)c1ccnc2nc[nH]c12
InChIInChI=1S/C14H12F2N4O/c15-12(16)8-2-1-3-9(6-8)20-14(21)10-4-5-17-13-11(10)18-7-19-13/h1-7,12,14,20-21H,(H,17,18,19)
InChIKeyDZFARNASBBWKOO-UHFFFAOYSA-N
XLogP3.00
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol?
The IUPAC name of [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol (CID 134444003) is [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol.
What is the SMILES notation for [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol?
The canonical SMILES for [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol is OC(Nc1cccc(C(F)F)c1)c1ccnc2nc[nH]c12.
What is the InChIKey of [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol?
The InChIKey is DZFARNASBBWKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O/c15-12(16)8-2-1-3-9(6-8)20-14(21)10-4-5-17-13-11(10)18-7-19-13/h1-7,12,14,20-21H,(H,17,18,19).
What are the key properties of [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol?
[3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol has a molecular weight of 290.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)anilino]-(1H-imidazo[4,5-b]pyridin-7-yl)methanol is sourced from PubChem (CID 134444003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).