(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine

C10H10ClN3 — CID 117296994

IUPAC(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc2c(Cl)[nH]nc12
InChIInChI=1S/C10H10ClN3/c11-10-8-5-1-3-7(4-2-6-12)9(8)13-14-10/h1-5H,6,12H2,(H,13,14)/b4-2+
InChIKeyDLSNUNGCAFZZIF-DUXPYHPUSA-N
MW207.66 g/mol
LogP2.19
Rot. Bonds2

About (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine

(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine (PubChem CID 117296994) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine
PubChem CID117296994
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cccc2c(Cl)[nH]nc12
InChIInChI=1S/C10H10ClN3/c11-10-8-5-1-3-7(4-2-6-12)9(8)13-14-10/h1-5H,6,12H2,(H,13,14)/b4-2+
InChIKeyDLSNUNGCAFZZIF-DUXPYHPUSA-N
XLogP2.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-benzimidazol-4-yl)prop-2-en-1-amine
CID 169463683
(E)-3-(3-chloro-1-methylindazol-7-yl)prop-2-en-1-amine
CID 117317346
(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
CID 117278991
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
(E)-3-(1,3-benzoxazol-4-yl)prop-2-en-1-amine
CID 117277112
3-chloro-7-(trifluoromethyl)-2H-indazole
CID 105476798
1-(3-chloro-2H-indazol-7-yl)-N-methoxymethanamine
CID 117302300
4-[(E)-3-aminoprop-1-enyl]-1,3-dihydrobenzimidazol-2-one
CID 117281464
(E)-3-(1,2-benzothiazol-7-yl)prop-2-en-1-amine
CID 117281991
2-(3-aminoprop-1-enyl)aniline
CID 67152713
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine
CID 169463700

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine (CID 117296994) is (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine is NC/C=C/c1cccc2c(Cl)[nH]nc12.
What is the InChIKey of (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine?
The InChIKey is DLSNUNGCAFZZIF-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-10-8-5-1-3-7(4-2-6-12)9(8)13-14-10/h1-5H,6,12H2,(H,13,14)/b4-2+.
What are the key properties of (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine?
(E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine has a molecular weight of 207.66 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-2H-indazol-7-yl)prop-2-en-1-amine is sourced from PubChem (CID 117296994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).