4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol

C13H7ClF2N4O — CID 166539277

IUPAC4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol
SMILESOc1ccc(Nc2ncnc3ccc(Cl)nc23)c(F)c1F
InChIInChI=1S/C13H7ClF2N4O/c14-9-4-2-7-12(20-9)13(18-5-17-7)19-6-1-3-8(21)11(16)10(6)15/h1-5,21H,(H,17,18,19)
InChIKeySPVHHMZJOGDRTK-UHFFFAOYSA-N
MW308.68 g/mol
LogP3.41
Rot. Bonds2

About 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol

4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol (PubChem CID 166539277) has the molecular formula C13H7ClF2N4O and a molecular weight of 308.68 g/mol. Its IUPAC name is 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol.

Molecular Properties

Compound Name4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol
PubChem CID166539277
Molecular FormulaC13H7ClF2N4O
Molecular Weight308.68 g/mol
Exact Mass308.03
IUPAC Name4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol
SMILESOc1ccc(Nc2ncnc3ccc(Cl)nc23)c(F)c1F
InChIInChI=1S/C13H7ClF2N4O/c14-9-4-2-7-12(20-9)13(18-5-17-7)19-6-1-3-8(21)11(16)10(6)15/h1-5,21H,(H,17,18,19)
InChIKeySPVHHMZJOGDRTK-UHFFFAOYSA-N
XLogP3.41
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 166540002
4-[[6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2,3-difluorophenol
CID 166539024
6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540318
6-chloro-N-(cyclobutadienyl)pyrido[3,2-d]pyrimidin-4-amine
CID 88898385
6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539944
6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539594
3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol
CID 86766693
6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 154196913
4-N-(3,4-dichloro-2-fluorophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 156532083
methyl 3-[4-(3,4-dichloro-2-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]sulfanylpropanoate
CID 156505140
2-chloro-5-fluoroquinolin-6-ol
CID 86698075
6-chloro-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539934

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol?
The IUPAC name of 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol (CID 166539277) is 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol.
What is the SMILES notation for 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol?
The canonical SMILES for 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol is Oc1ccc(Nc2ncnc3ccc(Cl)nc23)c(F)c1F.
What is the InChIKey of 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol?
The InChIKey is SPVHHMZJOGDRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N4O/c14-9-4-2-7-12(20-9)13(18-5-17-7)19-6-1-3-8(21)11(16)10(6)15/h1-5,21H,(H,17,18,19).
What are the key properties of 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol?
4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol has a molecular weight of 308.68 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol is sourced from PubChem (CID 166539277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).