2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid

C9H8ClN5O2 — CID 63152537

IUPAC2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid
SMILESCn1nnnc1Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C9H8ClN5O2/c1-15-9(12-13-14-15)11-5-2-3-6(8(16)17)7(10)4-5/h2-4H,1H3,(H,16,17)(H,11,12,14)
InChIKeyFAVZJIYSUIXWSH-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.31
Rot. Bonds3

About 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid

2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid (PubChem CID 63152537) has the molecular formula C9H8ClN5O2 and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid
PubChem CID63152537
Molecular FormulaC9H8ClN5O2
Molecular Weight253.65 g/mol
Exact Mass253.04
IUPAC Name2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid
SMILESCn1nnnc1Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C9H8ClN5O2/c1-15-9(12-13-14-15)11-5-2-3-6(8(16)17)7(10)4-5/h2-4H,1H3,(H,16,17)(H,11,12,14)
InChIKeyFAVZJIYSUIXWSH-UHFFFAOYSA-N
XLogP1.31
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid
CID 107793526
3-[(1-methyltetrazol-5-yl)amino]benzoic acid
CID 63151983
2-chloro-4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]benzoic acid
CID 61399145
2-chloro-4-[(1,3-dimethylpyrazol-4-yl)amino]benzoic acid
CID 102807400
2-chloro-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 23502600
2-chloro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid
CID 65270142
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
2-chloro-4-[(1-methyl-4-nitropyrazol-3-yl)amino]benzoic acid
CID 103079283
4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
CID 107275398
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
2-chloro-4-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 61399214
2-chloro-4-(2-methylprop-2-enoylamino)benzoic acid
CID 20793404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid (CID 63152537) is 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid is Cn1nnnc1Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid?
The InChIKey is FAVZJIYSUIXWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2/c1-15-9(12-13-14-15)11-5-2-3-6(8(16)17)7(10)4-5/h2-4H,1H3,(H,16,17)(H,11,12,14).
What are the key properties of 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid?
2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid has a molecular weight of 253.65 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid is sourced from PubChem (CID 63152537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).