3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine

C17H11ClFN7 — CID 58179748

IUPAC3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
SMILESNc1ncc(-c2cccnc2)cc1-c1nnnn1-c1cc(Cl)ccc1F
InChIInChI=1S/C17H11ClFN7/c18-12-3-4-14(19)15(7-12)26-17(23-24-25-26)13-6-11(9-22-16(13)20)10-2-1-5-21-8-10/h1-9H,(H2,20,22)
InChIKeyYCEOXFJRPSCVAF-UHFFFAOYSA-N
MW367.78 g/mol
LogP3.16
Rot. Bonds3

About 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine

3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine (PubChem CID 58179748) has the molecular formula C17H11ClFN7 and a molecular weight of 367.78 g/mol. Its IUPAC name is 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
PubChem CID58179748
Molecular FormulaC17H11ClFN7
Molecular Weight367.78 g/mol
Exact Mass367.07
IUPAC Name3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
SMILESNc1ncc(-c2cccnc2)cc1-c1nnnn1-c1cc(Cl)ccc1F
InChIInChI=1S/C17H11ClFN7/c18-12-3-4-14(19)15(7-12)26-17(23-24-25-26)13-6-11(9-22-16(13)20)10-2-1-5-21-8-10/h1-9H,(H2,20,22)
InChIKeyYCEOXFJRPSCVAF-UHFFFAOYSA-N
XLogP3.16
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
CID 58179501
2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61353022
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine
CID 58179668
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-propan-2-ylphenyl)pyridin-2-amine
CID 58179707
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-methylimidazol-4-yl)pyridin-2-amine
CID 58180006
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
CID 58179891
3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61352684
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 58180024
2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline
CID 115936164
3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]phenyl]pyridin-2-amine
CID 143549060
3-[1-(2-chloro-3,5-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
CID 58180152
N-[3-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-2-methylpropanamide
CID 58179659

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine (CID 58179748) is 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine is Nc1ncc(-c2cccnc2)cc1-c1nnnn1-c1cc(Cl)ccc1F.
What is the InChIKey of 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine?
The InChIKey is YCEOXFJRPSCVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN7/c18-12-3-4-14(19)15(7-12)26-17(23-24-25-26)13-6-11(9-22-16(13)20)10-2-1-5-21-8-10/h1-9H,(H2,20,22).
What are the key properties of 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine?
3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine has a molecular weight of 367.78 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 58179748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).