2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol

C10H7ClN4O3 — CID 174378554

IUPAC2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol
SMILESNc1nc(Cl)c([N+](=O)[O-])c(-c2ccccc2O)n1
InChIInChI=1S/C10H7ClN4O3/c11-9-8(15(17)18)7(13-10(12)14-9)5-3-1-2-4-6(5)16/h1-4,16H,(H2,12,13,14)
InChIKeyCCPGMHXIBIWQTN-UHFFFAOYSA-N
MW266.64 g/mol
LogP1.99
Rot. Bonds2

About 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol

2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol (PubChem CID 174378554) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol.

Molecular Properties

Compound Name2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol
PubChem CID174378554
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol
SMILESNc1nc(Cl)c([N+](=O)[O-])c(-c2ccccc2O)n1
InChIInChI=1S/C10H7ClN4O3/c11-9-8(15(17)18)7(13-10(12)14-9)5-3-1-2-4-6(5)16/h1-4,16H,(H2,12,13,14)
InChIKeyCCPGMHXIBIWQTN-UHFFFAOYSA-N
XLogP1.99
TPSA115.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)-6-methyl-5-nitropyrimidin-4-yl]phenol
CID 135818858
1,3-dichloro-4-nitroisoquinoline
CID 163932905
2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol
CID 135818846
2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide
CID 54853757
2-amino-4-(4-nitrophenyl)indeno[1,2-d]pyrimidin-5-one
CID 127028908
lead(2+);2-nitrobenzene-1,3-diol
CID 21125062
5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine
CID 146266610
2-(2,4,7-triaminopteridin-6-yl)phenol
CID 135735591
1-(2-amino-3-nitroquinolin-4-yl)ethanone
CID 19034766
3-(3-chloro-2-nitrophenyl)phenol
CID 20816503
2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol
CID 135960806
2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
CID 135960803

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol?
The IUPAC name of 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol (CID 174378554) is 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol.
What is the SMILES notation for 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol?
The canonical SMILES for 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol is Nc1nc(Cl)c([N+](=O)[O-])c(-c2ccccc2O)n1.
What is the InChIKey of 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol?
The InChIKey is CCPGMHXIBIWQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c11-9-8(15(17)18)7(13-10(12)14-9)5-3-1-2-4-6(5)16/h1-4,16H,(H2,12,13,14).
What are the key properties of 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol?
2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol has a molecular weight of 266.64 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol is sourced from PubChem (CID 174378554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).