2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline

C14H13ClN6 — CID 81308331

IUPAC2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(CNc2cc(-n3cnnn3)ccc2Cl)nc1
InChIInChI=1S/C14H13ClN6/c1-10-2-3-11(16-7-10)8-17-14-6-12(4-5-13(14)15)21-9-18-19-20-21/h2-7,9,17H,8H2,1H3
InChIKeySYEWDYYWRSHBDD-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline

2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline (PubChem CID 81308331) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
PubChem CID81308331
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(CNc2cc(-n3cnnn3)ccc2Cl)nc1
InChIInChI=1S/C14H13ClN6/c1-10-2-3-11(16-7-10)8-17-14-6-12(4-5-13(14)15)21-9-18-19-20-21/h2-7,9,17H,8H2,1H3
InChIKeySYEWDYYWRSHBDD-UHFFFAOYSA-N
XLogP2.63
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927
2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43698278
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine
CID 66386543
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 81311269
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
CID 81401098
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 50777011
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline (CID 81308331) is 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline is Cc1ccc(CNc2cc(-n3cnnn3)ccc2Cl)nc1.
What is the InChIKey of 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is SYEWDYYWRSHBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c1-10-2-3-11(16-7-10)8-17-14-6-12(4-5-13(14)15)21-9-18-19-20-21/h2-7,9,17H,8H2,1H3.
What are the key properties of 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline?
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 300.75 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 81308331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).