N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

C21H13ClF7N3O6 — CID 73058453

IUPACN-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cn2)c(F)c1)c1ccccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H11ClFN3O2.2C2HF3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14;2*3-2(4,5)1(6)7/h1-10H,(H,22,23);2*(H,6,7)
InChIKeyUNEVMZLXSKSHSR-UHFFFAOYSA-N
MW571.79 g/mol
LogP5.58
Rot. Bonds4

About N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 73058453) has the molecular formula C21H13ClF7N3O6 and a molecular weight of 571.79 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID73058453
Molecular FormulaC21H13ClF7N3O6
Molecular Weight571.79 g/mol
Exact Mass571.04
IUPAC NameN-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cn2)c(F)c1)c1ccccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H11ClFN3O2.2C2HF3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14;2*3-2(4,5)1(6)7/h1-10H,(H,22,23);2*(H,6,7)
InChIKeyUNEVMZLXSKSHSR-UHFFFAOYSA-N
XLogP5.58
TPSA138.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.79
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide
CID 73058486
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 46851690
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 172678259
N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide
CID 73058458
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide
CID 166998512
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
CID 10113425
2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 56952843
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 73058453) is N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(Nc1ccc(Oc2ccc(Cl)cn2)c(F)c1)c1ccccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is UNEVMZLXSKSHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2.2C2HF3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14;2*3-2(4,5)1(6)7/h1-10H,(H,22,23);2*(H,6,7).
What are the key properties of N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 571.79 g/mol, XLogP of 5.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 73058453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).