4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid

C9H8N2O3 — CID 118844827

IUPAC4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid
SMILESN#Cc1cc(CN)cc(O)c1C(=O)O
InChIInChI=1S/C9H8N2O3/c10-3-5-1-6(4-11)8(9(13)14)7(12)2-5/h1-2,12H,3,10H2,(H,13,14)
InChIKeyANKREMDKDQMIND-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.42
Rot. Bonds2

About 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid

4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid (PubChem CID 118844827) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid
PubChem CID118844827
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid
SMILESN#Cc1cc(CN)cc(O)c1C(=O)O
InChIInChI=1S/C9H8N2O3/c10-3-5-1-6(4-11)8(9(13)14)7(12)2-5/h1-2,12H,3,10H2,(H,13,14)
InChIKeyANKREMDKDQMIND-UHFFFAOYSA-N
XLogP0.42
TPSA107.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-cyano-6-hydroxybenzoic acid
CID 131137962
4-(aminomethyl)-2-cyano-6-nitrobenzoic acid
CID 134651927
2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid
CID 134655781
ethyl 2-[4-(aminomethyl)-3-cyano-5-hydroxyphenyl]acetate
CID 134652257
1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one
CID 174479734
2-cyano-4-ethyl-6-(hydroxymethyl)benzoic acid
CID 131315287
ethyl 4-(aminomethyl)-2-cyano-6-(difluoromethoxy)benzoate
CID 134650203
2-cyano-6-ethyl-4-sulfanylbenzoic acid
CID 131010847
2-(aminomethyl)-3-bromo-6-cyanobenzoic acid
CID 131191145
5-(aminomethyl)-2-hydroxy-3-methoxybenzonitrile
CID 117277708
3-(aminomethyl)-6-cyano-2-methylbenzoic acid
CID 131118349
2-(chloromethyl)-6-cyano-4-fluorobenzoic acid
CID 131051901

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid?
The IUPAC name of 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid (CID 118844827) is 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid.
What is the SMILES notation for 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid?
The canonical SMILES for 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid is N#Cc1cc(CN)cc(O)c1C(=O)O.
What is the InChIKey of 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid?
The InChIKey is ANKREMDKDQMIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-3-5-1-6(4-11)8(9(13)14)7(12)2-5/h1-2,12H,3,10H2,(H,13,14).
What are the key properties of 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid?
4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid has a molecular weight of 192.17 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid is sourced from PubChem (CID 118844827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).